(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 1491-95-8]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; Cholest-5-En-3-Ol (3Beta)-, Hydrogen Sulfate (9Ci); Chol-Sulf
• Molecular Formula: C₂₇H₄₆O₄S
• Molecular Weight: 466.72
• CAS Registry Number: 1491-95-8
• SMILES: [C@]24([C@H]([C@@H]1CC=C3[C@@]([C@H]1CC2)(CC[C@H](O[S](=O)(=O)O)C3)C)CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: BHYOQNUELFTYRT-DPAQBDIFSA-N

Properties

• Density: 1.121g/cm³ (Cal.)