Sterolibrin
[CAS# 8077-77-8]

Identification

• Name: Sterolibrin
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Keto-10,13-Dimethyl-16-Methylene-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol
• Molecular Formula: C₄₅H₅₅ClO₆
• Molecular Weight: 727.38
• CAS Registry Number: 8077-77-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C(=C2)Cl)C)CC[C@@]3([C@](OC(=O)C)(C(C4)=C)C(=O)C)C.[C@H]78[C@H]5[C@@H](C6=C(CC5)C=C(OC)C=C6)CC[C@@]7(C(O)(CC8)C#C)C
• InChI: 1S/C24H29ClO4.C21H26O2/c1-13-10-19-17-12-21(25)20-11-16(28)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)26)29-15(3)27;1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h11-12,17-19H,1,6-10H2,2-5H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18+,19+,22-,23+,24+;17-,18-,19+,20+,21?/m11/s1
• InChIKey: VHFMNPCKKRDMIC-TXCCHKNXSA-N