acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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

C183H250O52-16 — CID 159909457

About acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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

acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 159909457) has the molecular formula C183H250O52-16 and a molecular weight of 3281.96 g/mol. Its IUPAC name is acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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: acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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: 159909457
• Molecular Formula: C183H250O52-16
• Molecular Weight: 3281.96 g/mol
• Exact Mass: 3279.70
• IUPAC Name: acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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(=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-].CC12CCC(C(=O)[O-])(OC1=O)C2(C)C.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.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-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2
• InChI: InChI=1S/C30H46O8.C24H40O5.C24H34O5.C11H16O3.C11H14O3.2C11H16O2.C11H14O2.C10H14O4.C9H10O4.C8H12O2.C7H12O2.C7H6O2.C4H8O2.C3H4O4.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;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(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;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;9-8(10)7-4-5-1-2-6(7)3-5;2*8-7(9)6-4-2-1-3-5-6;1-3(2)4(5)6;1-2(4)7-3(5)6;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);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);4-7H,1-3H3,(H,12,13);4-5H2,1-3H3,(H,11,12);3-7H,1-2H2,(H,10,11);5-7H,1-4H2,(H,9,10);6H,1-5H2,(H,8,9);1-5H,(H,8,9);3H,1-2H3,(H,5,6);1H3,(H,5,6);1H3,(H,3,4)/p-16/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: JKQGKDKHRSOLPQ-XNTPBKJCSA-A
• XLogP: 8.36
• TPSA: 949.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 26
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3281.96
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 159909457) is acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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(=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-].CC12CCC(C(=O)[O-])(OC1=O)C2(C)C.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.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-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.

What is the InChIKey of acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 JKQGKDKHRSOLPQ-XNTPBKJCSA-A. The full InChI is InChI=1S/C30H46O8.C24H40O5.C24H34O5.C11H16O3.C11H14O3.2C11H16O2.C11H14O2.C10H14O4.C9H10O4.C8H12O2.C7H12O2.C7H6O2.C4H8O2.C3H4O4.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;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(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;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;9-8(10)7-4-5-1-2-6(7)3-5;2*8-7(9)6-4-2-1-3-5-6;1-3(2)4(5)6;1-2(4)7-3(5)6;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);7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);6-10H,1-5H2,(H,12,13);4-7H,1-3H3,(H,12,13);4-5H2,1-3H3,(H,11,12);3-7H,1-2H2,(H,10,11);5-7H,1-4H2,(H,9,10);6H,1-5H2,(H,8,9);1-5H,(H,8,9);3H,1-2H3,(H,5,6);1H3,(H,5,6);1H3,(H,3,4)/p-16/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 acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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?

acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 3281.96 g/mol, XLogP of 8.36, 26 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl carbonate;adamantane-1-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;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;3-hydroxyadamantane-1-carboxylate;2-methylpropanoate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(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;(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 159909457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).