(3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

C110H170BrF7O8 — CID 160549978

About (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

(3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (PubChem CID 160549978) has the molecular formula C110H170BrF7O8 and a molecular weight of 1833.45 g/mol. Its IUPAC name is (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one.

Molecular Properties

• Compound Name: (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
• PubChem CID: 160549978
• Molecular Formula: C110H170BrF7O8
• Molecular Weight: 1833.45 g/mol
• Exact Mass: 1831.20
• IUPAC Name: (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
• SMILES: C=C(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(C)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CBr)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CO)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CO)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C
• InChI: InChI=1S/C22H33BrF2O.C22H34F2O2.C22H34F2O.C22H35FO2.C22H34O2/c1-13(12-23)17-4-5-18-16-10-22(24,25)19-11-20(2,26)8-6-15(19)14(16)7-9-21(17,18)3;1-13(12-25)17-4-5-18-16-10-22(23,24)19-11-20(2,26)8-6-15(19)14(16)7-9-21(17,18)3;1-13(2)17-5-6-18-16-11-22(23,24)19-12-20(3,25)9-7-15(19)14(16)8-10-21(17,18)4;1-13(12-24)18-4-5-19-16-10-20(23)17-11-21(2,25)8-6-15(17)14(16)7-9-22(18,19)3;1-13(2)18-5-6-19-16-11-20(23)17-12-21(3,24)9-7-15(17)14(16)8-10-22(18,19)4/h14-19,26H,1,4-12H2,2-3H3;14-19,25-26H,1,4-12H2,2-3H3;14-19,25H,1,5-12H2,2-4H3;14-20,24-25H,1,4-12H2,2-3H3;14-19,24H,1,5-12H2,2-4H3/t3*14-,15-,16-,17-,18+,19+,20-,21-;14-,15-,16-,17+,18-,19+,20-,21-,22-;14-,15-,16-,17+,18-,19+,21-,22-/m11111/s1
• InChIKey: QXXWXWZQEDIPOC-AEAYGCHBSA-N
• XLogP: 26.09
• TPSA: 158.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.45
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one?

The IUPAC name of (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (CID 160549978) is (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one.

What is the SMILES notation for (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one?

The canonical SMILES for (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one is C=C(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(C)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CBr)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CO)[C@H]1CC[C@H]2[C@@H]3CC(F)(F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.C=C(CO)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.

What is the InChIKey of (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one?

The InChIKey is QXXWXWZQEDIPOC-AEAYGCHBSA-N. The full InChI is InChI=1S/C22H33BrF2O.C22H34F2O2.C22H34F2O.C22H35FO2.C22H34O2/c1-13(12-23)17-4-5-18-16-10-22(24,25)19-11-20(2,26)8-6-15(19)14(16)7-9-21(17,18)3;1-13(12-25)17-4-5-18-16-10-22(23,24)19-11-20(2,26)8-6-15(19)14(16)7-9-21(17,18)3;1-13(2)17-5-6-18-16-11-22(23,24)19-12-20(3,25)9-7-15(19)14(16)8-10-21(17,18)4;1-13(12-24)18-4-5-19-16-10-20(23)17-11-21(2,25)8-6-15(17)14(16)7-9-22(18,19)3;1-13(2)18-5-6-19-16-11-20(23)17-12-21(3,24)9-7-15(17)14(16)8-10-22(18,19)4/h14-19,26H,1,4-12H2,2-3H3;14-19,25-26H,1,4-12H2,2-3H3;14-19,25H,1,5-12H2,2-4H3;14-20,24-25H,1,4-12H2,2-3H3;14-19,24H,1,5-12H2,2-4H3/t3*14-,15-,16-,17-,18+,19+,20-,21-;14-,15-,16-,17+,18-,19+,20-,21-,22-;14-,15-,16-,17+,18-,19+,21-,22-/m11111/s1.

What are the key properties of (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one?

(3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one has a molecular weight of 1833.45 g/mol, XLogP of 26.09, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S,8R,9S,10R,13S,14S,17S)-17-(3-bromoprop-1-en-2-yl)-6,6-difluoro-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-6,6-difluoro-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17S)-6,6-difluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5S,6R,8R,9S,10R,13S,14S,17S)-6-fluoro-17-(3-hydroxyprop-1-en-2-yl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-3,13-dimethyl-17-prop-1-en-2-yl-1,2,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one is sourced from PubChem (CID 160549978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).