16α-Hydroxydehydroepiandrosterone 3-sulfate

CAS Registry Number®

4873-65-8

CAS Name

16α-Hydroxydehydroepiandrosterone 3-sulfate

Molecular Formula

C19H28O6S

Molecular Mass

384.49

Cite this Page

16α-Hydroxydehydroepiandrosterone 3-sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4873-65-8 (retrieved 2024-11-23) (CAS RN: 4873-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H28O6S/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/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1

InChIKey

InChIKey=ALBNSVAJDFJRKQ-DNKQKWOHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)[C@H](O)C4)[H])(CC=C1C[C@@H](OS(=O)(=O)O)CC2)[H])[H]

Canonical SMILES

O=C1C(O)CC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Androst-5-en-17-one, 16-hydroxy-3-(sulfooxy)-, (3β,16α)-
  • Androst-5-en-17-one, 3β,16α-dihydroxy-, 3-(hydrogen sulfate)
  • (3β,16α)-16-Hydroxy-3-(sulfooxy)androst-5-en-17-one
  • 16α-Hydroxydehydroisoandrosterone sulfate
  • 3β,16α-Dihydroxy-5-androsten-17-one 3-sulfate

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