beta-Sitosterol Sulfate
[CAS# 24815-93-8]

Identification

• Name: beta-Sitosterol Sulfate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-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; [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-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; [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-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: C₂₉H₅₀O₄S
• Molecular Weight: 494.77
• CAS Registry Number: 24815-93-8
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O[S](=O)(=O)O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C29H50O4S/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,30,31,32)/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: IPVNPUHVCZJVOI-VJSFXXLFSA-N

Properties

• Density: 1.101g/cm³ (Cal.)