(3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

C121H172F3N19O6 — CID 159264831

About (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 159264831) has the molecular formula C121H172F3N19O6 and a molecular weight of 2045.83 g/mol. Its IUPAC name is (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 159264831
• Molecular Formula: C121H172F3N19O6
• Molecular Weight: 2045.83 g/mol
• Exact Mass: 2044.37
• IUPAC Name: (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: C=C(Cn1nccn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C
• InChI: InChI=1S/C27H36N4O.C24H33F2N3O.C24H36N4O2.C23H33FN4O.C23H34N4O/c1-18(16-31-29-17-28-30-31)24-7-8-25-23-6-5-20-15-27(32,13-9-19-3-4-19)14-11-21(20)22(23)10-12-26(24,25)2;1-15(14-29-27-11-12-28-29)20-5-6-21-19-4-3-16-13-24(30,22(25)26)10-8-17(16)18(19)7-9-23(20,21)2;1-16(13-28-26-15-25-27-28)21-6-7-22-20-5-4-17-12-24(29,14-30-3)11-9-18(17)19(20)8-10-23(21,22)2;1-15(12-28-26-14-25-27-28)20-5-6-21-19-4-3-16-11-23(29,13-24)10-8-17(16)18(19)7-9-22(20,21)2;1-15(13-27-25-14-24-26-27)20-6-7-21-19-5-4-16-12-22(2,28)10-8-17(16)18(19)9-11-23(20,21)3/h5,17,19,21-25,32H,1,3-4,6-8,10-12,14-16H2,2H3;3,11-12,17-22,30H,1,4-10,13-14H2,2H3;4,15,18-22,29H,1,5-14H2,2-3H3;3,14,17-21,29H,1,4-13H2,2H3;4,14,17-21,28H,1,5-13H2,2-3H3/t21-,22+,23+,24+,25-,26+,27+;17-,18+,19+,20+,21-,23+,24+;18-,19+,20+,21+,22-,23+,24+;2*17-,18+,19+,20+,21-,22+,23+/m00000/s1
• InChIKey: KWYVFJDPPHNPAC-QKXLFEFWSA-N
• XLogP: 21.67
• TPSA: 315.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.83
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 159264831) is (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The canonical SMILES for (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is C=C(Cn1nccn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ncnn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.

What is the InChIKey of (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The InChIKey is KWYVFJDPPHNPAC-QKXLFEFWSA-N. The full InChI is InChI=1S/C27H36N4O.C24H33F2N3O.C24H36N4O2.C23H33FN4O.C23H34N4O/c1-18(16-31-29-17-28-30-31)24-7-8-25-23-6-5-20-15-27(32,13-9-19-3-4-19)14-11-21(20)22(23)10-12-26(24,25)2;1-15(14-29-27-11-12-28-29)20-5-6-21-19-4-3-16-13-24(30,22(25)26)10-8-17(16)18(19)7-9-23(20,21)2;1-16(13-28-26-15-25-27-28)21-6-7-22-20-5-4-17-12-24(29,14-30-3)11-9-18(17)19(20)8-10-23(21,22)2;1-15(12-28-26-14-25-27-28)20-5-6-21-19-4-3-16-11-23(29,13-24)10-8-17(16)18(19)7-9-22(20,21)2;1-15(13-27-25-14-24-26-27)20-6-7-21-19-5-4-16-12-22(2,28)10-8-17(16)18(19)9-11-23(20,21)3/h5,17,19,21-25,32H,1,3-4,6-8,10-12,14-16H2,2H3;3,11-12,17-22,30H,1,4-10,13-14H2,2H3;4,15,18-22,29H,1,5-14H2,2-3H3;3,14,17-21,29H,1,4-13H2,2H3;4,14,17-21,28H,1,5-13H2,2-3H3/t21-,22+,23+,24+,25-,26+,27+;17-,18+,19+,20+,21-,23+,24+;18-,19+,20+,21+,22-,23+,24+;2*17-,18+,19+,20+,21-,22+,23+/m00000/s1.

What are the key properties of (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

(3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 2045.83 g/mol, XLogP of 21.67, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-13-methyl-17-[3-(triazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3,13-dimethyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,8R,9S,10R,13S,14S,17S)-3-(methoxymethyl)-13-methyl-17-[3-(tetrazol-2-yl)prop-1-en-2-yl]-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 159264831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).