Androst-5-ene-3b,16a,17b-triol, 3-(hydrogen sulfate)
[CAS# 2681-63-2]

Identification

• Name: Androst-5-ene-3b,16a,17b-triol, 3-(hydrogen sulfate)
• Synonyms: A-Triols; Androst-5-Ene-3,16,17-Triol, 3-(Hydrogen Sulfate), (3Beta,16Alpha,17Beta)-; Androst-5-Ene-3,16,17-Triol-3-Sulfate
• Molecular Formula: C₁₉H₃₀O₆S
• Molecular Weight: 386.50
• CAS Registry Number: 2681-63-2
• SMILES: [C@H]23[C@H]1[C@@](C(O)C(O)C1)(CC[C@@H]2[C@@]4(C(=CC3)CC(O[S](=O)(=O)O)CC4)C)C
• InChI: 1S/C19H30O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-17,20-21H,4-10H2,1-2H3,(H,22,23,24)/t12?,13-,14+,15+,16?,17?,18+,19+/m1/s1
• InChIKey: NEEPVBBBPFLSII-DPKZMNKYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)