[(3S,5S,8R,9S,10S,13R,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
[CAS# 39156-29-1]

Identification

• Name: [(3S,5S,8R,9S,10S,13R,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
• Synonyms: Androst-16-En-3-Ol, Hydrogen Sulfate, (3Beta,5Alpha)-; 5Alpha-Androst-16-En-3Beta-Ol Sulfate; 5Alpha-Androst-16-En-3Beta-Ol Sulfoconjugate
• Molecular Formula: C₁₉H₃₀O₄S
• Molecular Weight: 354.50
• CAS Registry Number: 39156-29-1
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CC=C[C@@]2(C)CC[C@H]34)C)O[S](=O)(=O)O
• InChI: 1S/C19H30O4S/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18/h3,9,13-17H,4-8,10-12H2,1-2H3,(H,20,21,22)/t13-,14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: FHMBGAXGVUGLIR-LOVVWNRFSA-N

Properties

• Density: 1.239g/cm³ (Cal.)