[(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-Dihydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-3-Sulfooxy-1,2,3,5,6,7,11,12,16,17-Decahydrocyclopenta[a]Phenanthren-12-Yl] Acetate
[CAS# 131319-90-9]

Identification

• Name: [(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-Dihydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-3-Sulfooxy-1,2,3,5,6,7,11,12,16,17-Decahydrocyclopenta[a]Phenanthren-12-Yl] Acetate
• Synonyms: [(2R,3R,5R,10S,11S,12S,13R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-2,11-Dihydroxy-4,4,10,13-Tetramethyl-3-Sulfooxy-1,2,3,5,6,7,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-12-Yl] Acetate; Acetic Acid [(2R,3R,5R,10S,11S,12S,13R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-2,11-Dihydroxy-4,4,10,13-Tetramethyl-3-Sulfooxy-1,2,3,5,6,7,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester; Acetic Acid [(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-Dihydroxy-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-4,4,10,13-Tetramethyl-3-Sulfoxy-1,2,3,5,6,7,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₃₂H₅₀O₈S
• Molecular Weight: 594.80
• CAS Registry Number: 131319-90-9
• SMILES: [C@@H]1([C@@H](C([C@H]2[C@](C1)(C4=C(CC2)C3=CC[C@@H]([C@]3([C@@H]([C@H]4O)OC(=O)C)C)[C@@H](CCC(C(C)C)=C)C)C)(C)C)O[S](O)(=O)=O)O
• InChI: 1S/C32H50O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h14,17,19,22,24-25,27-29,34-35H,3,10-13,15-16H2,1-2,4-9H3,(H,36,37,38)/t19-,22-,24-,25+,27+,28+,29-,31+,32-/m1/s1
• InChIKey: BGABDSBXSCYPTK-MUSHREFUSA-N

Properties

• Density: 1.231g/cm³ (Cal.)