3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate

C392H389F40O111-39 — CID 160806132

About 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate

3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate (PubChem CID 160806132) has the molecular formula C392H389F40O111-39 and a molecular weight of 7636.23 g/mol. Its IUPAC name is 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate.

Molecular Properties

• Compound Name: 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate
• PubChem CID: 160806132
• Molecular Formula: C392H389F40O111-39
• Molecular Weight: 7636.23 g/mol
• Exact Mass: 7631.44
• IUPAC Name: 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate
• SMILES: CC(=O)OC(C)C(F)(F)C(=O)[O-].CC(=O)OC1CC[C@@]2(C)[C@@H](C1)CC(OC(C)=O)[C@@H]1[C@@H]2CC(OC(C)=O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@H]12.CC(=O)[O-].CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)C(=O)[O-].CC(C)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)C(=O)[O-].CC(O)(C(=O)[O-])C(F)(F)F.CC(O)(CC(=O)[O-])C(F)(F)F.CC12CCC(C(=O)[O-])(OC1=O)C2(C)C.CCC(=O)[O-].COc1c(F)c(F)c(C(=O)[O-])c(F)c1F.C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C.Cc1ccc(C(=O)[O-])cc1.O=C(O)c1cc2ccccc2cc1[O-].O=C(O)c1ccc([O-])cc1.O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1cccc2c([O-])cccc12.O=C(O)c1ccccc1[O-].O=C([O-])C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(O)(C(F)(F)F)C(F)(F)F.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C([O-])C1C2CC3OC(=O)C1C3C2.O=C([O-])C1CC2CC1C1CCCC21.O=C([O-])C1CC2CCC1C2.O=C([O-])C1CCCCC1.O=C([O-])CC(F)(F)F.O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C([O-])c1ccc2cc3ccccc3cc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2
• InChI: InChI=1S/C30H46O8.C24H40O5.C24H34O5.C17H24F2O4.C15H8O4.3C15H10O2.C13H6F4O2.C11H16O3.C11H14O3.3C11H8O3.2C11H16O2.2C11H8O2.C11H14O2.C10H14O4.C9H10O4.C8H4F4O3.C8H12O2.C8H8O2.C7HF5O2.2C7H6O3.C7H12O2.C7H6O2.C6H8F2O4.C5H7F3O3.C4H2F6O3.C4H5F3O3.C4H8O2.C3HF5O2.C3H3F3O2.C3H6O2.C2HF3O2.C2H4O2/c1-16(7-10-27(34)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)12-11-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32;2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-9(2)13(17(18,19)14(20)21)23-15(22)16-6-10-3-11(7-16)5-12(4-10)8-16;16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13;14-9-7(6-4-2-1-3-5-6)10(15)12(17)8(11(9)16)13(18)19;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;12-11(13)10-5-6-4-9(10)8-3-1-2-7(6)8;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13;10-8(11)6-3-1-4-5(2-3)13-9(12)7(4)6;1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12;9-8(10)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;8-6-3-1-5(2-4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-7(9)6-4-2-1-3-5-6;1-3(12-4(2)9)6(7,8)5(10)11;1-4(11,2-3(9)10)5(6,7)8;5-3(6,7)2(13,1(11)12)4(8,9)10;1-3(10,2(8)9)4(5,6)7;1-3(2)4(5)6;4-2(5,1(9)10)3(6,7)8;4-3(5,6)1-2(7)8;1-2-3(4)5;3-2(4,5)1(6)7;1-2(3)4/h16,20-26,28H,7-15H2,1-6H3,(H,34,35);13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);9-13H,3-8H2,1-2H3,(H,20,21);1-7H,(H,18,19);3*1-9H,(H,16,17);1-5H,(H,18,19);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);3*1-6,12H,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);2*1-7H,(H,12,13);4-7H,1-3H3,(H,12,13);4-5H2,1-3H3,(H,11,12);3-7H,1-2H2,(H,10,11);1H3,(H,13,14);5-7H,1-4H2,(H,9,10);2-5H,1H3,(H,9,10);(H,13,14);2*1-4,8H,(H,9,10);6H,1-5H2,(H,8,9);1-5H,(H,8,9);3H,1-2H3,(H,10,11);11H,2H2,1H3,(H,9,10);13H,(H,11,12);10H,1H3,(H,8,9);3H,1-2H3,(H,5,6);(H,9,10);1H2,(H,7,8);2H2,1H3,(H,4,5);(H,6,7);1H3,(H,3,4)/p-39/t16-,20+,21?,22-,23+,24+,25?,26?,28+,29+,30-;13-,14+,15?,16-,17+,18+,19?,20?,22+,23+,24-;13-,14+,16-,17+,18+,22+,23+,24-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m111..................................../s1
• InChIKey: YTBBXCUJWYPLAE-ZZUJHSDPSA-A
• XLogP: 27.14
• TPSA: 2103.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 106
• Rotatable Bonds: 58
• Heavy Atoms: 543
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7636.23
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	106

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate?

The IUPAC name of 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate (CID 160806132) is 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate.

What is the SMILES notation for 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate?

The canonical SMILES for 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate is CC(=O)OC(C)C(F)(F)C(=O)[O-].CC(=O)OC1CC[C@@]2(C)[C@@H](C1)CC(OC(C)=O)[C@@H]1[C@@H]2CC(OC(C)=O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@H]12.CC(=O)[O-].CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)C(=O)[O-].CC(C)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)C(=O)[O-].CC(O)(C(=O)[O-])C(F)(F)F.CC(O)(CC(=O)[O-])C(F)(F)F.CC12CCC(C(=O)[O-])(OC1=O)C2(C)C.CCC(=O)[O-].COc1c(F)c(F)c(C(=O)[O-])c(F)c1F.C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C.Cc1ccc(C(=O)[O-])cc1.O=C(O)c1cc2ccccc2cc1[O-].O=C(O)c1ccc([O-])cc1.O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1cccc2c([O-])cccc12.O=C(O)c1ccccc1[O-].O=C([O-])C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(O)(C(F)(F)F)C(F)(F)F.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C([O-])C1C2CC3OC(=O)C1C3C2.O=C([O-])C1CC2CC1C1CCCC21.O=C([O-])C1CC2CCC1C2.O=C([O-])C1CCCCC1.O=C([O-])CC(F)(F)F.O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C([O-])c1ccc2cc3ccccc3cc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.

What is the InChIKey of 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate?

The InChIKey is YTBBXCUJWYPLAE-ZZUJHSDPSA-A. The full InChI is InChI=1S/C30H46O8.C24H40O5.C24H34O5.C17H24F2O4.C15H8O4.3C15H10O2.C13H6F4O2.C11H16O3.C11H14O3.3C11H8O3.2C11H16O2.2C11H8O2.C11H14O2.C10H14O4.C9H10O4.C8H4F4O3.C8H12O2.C8H8O2.C7HF5O2.2C7H6O3.C7H12O2.C7H6O2.C6H8F2O4.C5H7F3O3.C4H2F6O3.C4H5F3O3.C4H8O2.C3HF5O2.C3H3F3O2.C3H6O2.C2HF3O2.C2H4O2/c1-16(7-10-27(34)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)12-11-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32;2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-9(2)13(17(18,19)14(20)21)23-15(22)16-6-10-3-11(7-16)5-12(4-10)8-16;16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13;14-9-7(6-4-2-1-3-5-6)10(15)12(17)8(11(9)16)13(18)19;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;12-11(13)10-5-6-4-9(10)8-3-1-2-7(6)8;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13;10-8(11)6-3-1-4-5(2-3)13-9(12)7(4)6;1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12;9-8(10)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;8-6-3-1-5(2-4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-7(9)6-4-2-1-3-5-6;1-3(12-4(2)9)6(7,8)5(10)11;1-4(11,2-3(9)10)5(6,7)8;5-3(6,7)2(13,1(11)12)4(8,9)10;1-3(10,2(8)9)4(5,6)7;1-3(2)4(5)6;4-2(5,1(9)10)3(6,7)8;4-3(5,6)1-2(7)8;1-2-3(4)5;3-2(4,5)1(6)7;1-2(3)4/h16,20-26,28H,7-15H2,1-6H3,(H,34,35);13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);9-13H,3-8H2,1-2H3,(H,20,21);1-7H,(H,18,19);3*1-9H,(H,16,17);1-5H,(H,18,19);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);3*1-6,12H,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);2*1-7H,(H,12,13);4-7H,1-3H3,(H,12,13);4-5H2,1-3H3,(H,11,12);3-7H,1-2H2,(H,10,11);1H3,(H,13,14);5-7H,1-4H2,(H,9,10);2-5H,1H3,(H,9,10);(H,13,14);2*1-4,8H,(H,9,10);6H,1-5H2,(H,8,9);1-5H,(H,8,9);3H,1-2H3,(H,10,11);11H,2H2,1H3,(H,9,10);13H,(H,11,12);10H,1H3,(H,8,9);3H,1-2H3,(H,5,6);(H,9,10);1H2,(H,7,8);2H2,1H3,(H,4,5);(H,6,7);1H3,(H,3,4)/p-39/t16-,20+,21?,22-,23+,24+,25?,26?,28+,29+,30-;13-,14+,15?,16-,17+,18+,19?,20?,22+,23+,24-;13-,14+,16-,17+,18+,22+,23+,24-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m111..................................../s1.

What are the key properties of 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate?

3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate has a molecular weight of 7636.23 g/mol, XLogP of 27.14, 58 rotatable bonds, 12 hydrogen bond donors, and 106 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate is sourced from PubChem (CID 160806132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).