7-Dehydrocholesterol-3-sulfate ester
[CAS# 10529-44-9]

Identification

• Name: 7-Dehydrocholesterol-3-sulfate ester
• Synonyms: [(3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; 7-Dh-3-Se; 7-Dehydrocholesterol-3-Sulfate Ester
• Molecular Formula: C₂₇H₄₄O₄S
• Molecular Weight: 464.70
• CAS Registry Number: 10529-44-9
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CC=C4[C@@]3(CC[C@H](O[S](=O)(=O)O)C4)C)C
• InChI: 1S/C27H44O4S/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/h9-10,18-19,21,23-25H,6-8,11-17H2,1-5H3,(H,28,29,30)/t19-,21+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: NKPUIOFQRISSOL-DDPQNLDTSA-N

Properties

• Density: 1.136g/cm³ (Cal.)