5α-Androstane-3β,6α,17β-triol

CAS Registry Number®

49644-04-4

CAS Name

5α-Androstane-3β,6α,17β-triol

Molecular Formula

C19H32O3

Molecular Mass

308.46

Cite this Page

5α-Androstane-3β,6α,17β-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49644-04-4 (retrieved 2024-11-22) (CAS RN: 49644-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19-/m0/s1

InChIKey

InChIKey=OFAZPSYXUKIJIK-JGRZZSDMSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](O)CC4)[H])(C[C@H](O)[C@]1(C[C@@H](O)CC2)[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC(O)C2C1

Other Names for this Substance

  • Androstane-3,6,17-triol, (3β,5α,6α,17β)-
  • (3β,5α,6α,17β)-Androstane-3,6,17-triol
  • 5α-Androstane-3β,6α,17β-triol
  • 3β,6α,17β-Trihydroxy-5α-androstane