(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)

C155H214BF3O17Si — CID 162239318

About (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)

(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide) (PubChem CID 162239318) has the molecular formula C155H214BF3O17Si and a molecular weight of 2445.29 g/mol. Its IUPAC name is (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide).

Molecular Properties

• Compound Name: (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)
• PubChem CID: 162239318
• Molecular Formula: C155H214BF3O17Si
• Molecular Weight: 2445.29 g/mol
• Exact Mass: 2443.57
• IUPAC Name: (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)
• SMILES: CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(Cc7ccccc7)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCc2ccccc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(OC=O)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O.CC1(C)OB(C2=CC[C@](CF)(Cc3ccccc3)CC2)OC1(C)C.CC1=CC[C@]2(C)[C@H]3CC[C@@H]4C5=C(C(C)C)C(=O)C[C@]5(C(=O)OCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.C[SiH](C)C(C)(C)C.O=C=O.O=C=O
• InChI: InChI=1S/C51H65FO3.C38H53FO5.C38H52O3.C20H28BFO2.C6H16Si.2CO2/c1-34(2)43-40(53)31-51(45(54)55-32-36-16-12-9-13-17-36)29-28-48(6)39(44(43)51)18-19-42-47(5)24-22-38(46(3,4)41(47)23-25-49(42,48)7)37-20-26-50(33-52,27-21-37)30-35-14-10-8-11-15-35;1-23(2)30-27(41)20-38(32(42)43)19-18-35(6)26(31(30)38)8-9-29-34(5)14-12-25(33(3,4)28(34)13-15-36(29,35)7)24-10-16-37(21-39,17-11-24)44-22-40;1-24(2)31-28(39)22-38(33(40)41-23-26-12-10-9-11-13-26)21-20-36(7)27(32(31)38)14-15-30-35(6)18-16-25(3)34(4,5)29(35)17-19-37(30,36)8;1-18(2)19(3,4)24-21(23-18)17-10-12-20(15-22,13-11-17)14-16-8-6-5-7-9-16;1-6(2,3)7(4)5;2*2-1-3/h8-17,20,22,34,39,41-42H,18-19,21,23-33H2,1-7H3;10,12,22-23,26,28-29H,8-9,11,13-21H2,1-7H3,(H,42,43);9-13,16,24,27,29-30H,14-15,17-23H2,1-8H3;5-10H,11-15H2,1-4H3;7H,1-5H3;;/t39-,41+,42-,47+,48-,49-,50-,51-;26-,28+,29-,34+,35-,36-,37+,38-;27-,29+,30-,35+,36-,37-,38-;20-;;;/m1111.../s1
• InChIKey: ZWMITQRRHQYGCA-ISVCIRDTSA-N
• XLogP: 36.43
• TPSA: 254.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2445.29
LogP ≤ 5	36.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)?

The IUPAC name of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide) (CID 162239318) is (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide).

What is the SMILES notation for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)?

The canonical SMILES for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide) is CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(Cc7ccccc7)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCc2ccccc2)CC1=O.CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(OC=O)CC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O.CC1(C)OB(C2=CC[C@](CF)(Cc3ccccc3)CC2)OC1(C)C.CC1=CC[C@]2(C)[C@H]3CC[C@@H]4C5=C(C(C)C)C(=O)C[C@]5(C(=O)OCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.C[SiH](C)C(C)(C)C.O=C=O.O=C=O.

What is the InChIKey of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)?

The InChIKey is ZWMITQRRHQYGCA-ISVCIRDTSA-N. The full InChI is InChI=1S/C51H65FO3.C38H53FO5.C38H52O3.C20H28BFO2.C6H16Si.2CO2/c1-34(2)43-40(53)31-51(45(54)55-32-36-16-12-9-13-17-36)29-28-48(6)39(44(43)51)18-19-42-47(5)24-22-38(46(3,4)41(47)23-25-49(42,48)7)37-20-26-50(33-52,27-21-37)30-35-14-10-8-11-15-35;1-23(2)30-27(41)20-38(32(42)43)19-18-35(6)26(31(30)38)8-9-29-34(5)14-12-25(33(3,4)28(34)13-15-36(29,35)7)24-10-16-37(21-39,17-11-24)44-22-40;1-24(2)31-28(39)22-38(33(40)41-23-26-12-10-9-11-13-26)21-20-36(7)27(32(31)38)14-15-30-35(6)18-16-25(3)34(4,5)29(35)17-19-37(30,36)8;1-18(2)19(3,4)24-21(23-18)17-10-12-20(15-22,13-11-17)14-16-8-6-5-7-9-16;1-6(2,3)7(4)5;2*2-1-3/h8-17,20,22,34,39,41-42H,18-19,21,23-33H2,1-7H3;10,12,22-23,26,28-29H,8-9,11,13-21H2,1-7H3,(H,42,43);9-13,16,24,27,29-30H,14-15,17-23H2,1-8H3;5-10H,11-15H2,1-4H3;7H,1-5H3;;/t39-,41+,42-,47+,48-,49-,50-,51-;26-,28+,29-,34+,35-,36-,37+,38-;27-,29+,30-,35+,36-,37-,38-;20-;;;/m1111.../s1.

What are the key properties of (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide)?

(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide) has a molecular weight of 2445.29 g/mol, XLogP of 36.43, 22 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4R)-4-(fluoromethyl)-4-formyloxycyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylic acid;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-5a,5b,8,8,9,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;benzyl (3aR,5aR,5bR,7aR,11aS,11bR,13aS)-9-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysene-3a-carboxylate;2-[(4S)-4-benzyl-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl(dimethyl)silane;bis(carbon dioxide) is sourced from PubChem (CID 162239318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).