[(8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-[(2R)-6-Methyl-7-Sulfooxyheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
[CAS# 107241-08-7]

Identification

• Name: [(8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-[(2R)-6-Methyl-7-Sulfooxyheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
• Synonyms: [(8S,9S,10R,13R,14S,17S)-17-[(1R)-1,5-Dimethyl-6-Sulfooxy-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; [(8S,9S,10R,13R,14S,17S)-17-[(1R)-1,5-Dimethyl-6-Sulfooxyhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; [(8S,9S,10R,13R,14S,17S)-17-[(1R)-1,5-Dimethyl-6-Sulfoxy-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate
• Molecular Formula: C₂₇H₄₆O₈S₂
• Molecular Weight: 562.78
• CAS Registry Number: 107241-08-7
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)CC(O[S](=O)(=O)O)CC2)C)CC[C@@]3([C@@H](CC4)[C@@H](CCCC(CO[S](=O)(=O)O)C)C)C
• InChI: 1S/C27H46O8S2/c1-18(17-34-36(28,29)30)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(35-37(31,32)33)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25H,5-7,9-17H2,1-4H3,(H,28,29,30)(H,31,32,33)/t18?,19-,21?,22+,23+,24+,25+,26+,27-/m1/s1
• InChIKey: CKKZPKHJVOCGKH-CYWZQEKTSA-N

Properties

• Density: 1.284g/cm³ (Cal.)