17-Hydroxypregnenolone 3-sulfate
CAS Registry Number®
2477-77-2
CAS Name
17-Hydroxypregnenolone 3-sulfateMolecular Formula
C21H32O6SMolecular Mass
412.54Cite this Page
17-Hydroxypregnenolone 3-sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2477-77-2 (retrieved ) (CAS RN: 2477-77-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
InChIKey=OMOKWYAQVYBHMG-TVWVXWENSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OS(=O)(=O)O)CC4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Canonical SMILES
O=C(C)C1(O)CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC21C
Other Names for this Substance
- Pregn-5-en-20-one, 17-hydroxy-3-(sulfooxy)-, (3β)-
- Pregn-5-en-20-one, 3β,17-dihydroxy-, 3-(hydrogen sulfate)
- (3β)-17-Hydroxy-3-(sulfooxy)pregn-5-en-20-one
- 17α-Hydroxypregnenolone 3-sulfate
- 17-Hydroxypregnenolone 3-sulfate