Pregnane-3,17,20-triol, (3β,5α,20R)-

CAS Registry Number®

520-86-5
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CAS Name

Pregnane-3,17,20-triol, (3β,5α,20R)-

Molecular Formula

C21H36O3

Molecular Mass

336.51

Cite this Page

Pregnane-3,17,20-triol, (3β,5α,20R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=520-86-5 (retrieved 2024-06-25) (CAS RN: 520-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-235 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,19+,20+,21+/m1/s1

InChIKey

InChIKey=SCPADBBISMMJAW-IPNMKUGPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](C)O)O)[H]

Canonical SMILES

OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4(O)C(O)C)C1

Other Names for this Substance

  • Pregnane-3,17,20-triol, (3β,5α,20R)-
  • 5α-Pregnane-3β,17,20β-triol
  • Reichstein's substance J
  • Allopregnane-3β,17α,20β-triol
  • 5α-Pregnane-3β,17α,20β-triol

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