Pregnanetriol

CAS Registry Number®

1098-45-9
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CAS Name

Pregnanetriol

Molecular Formula

C21H36O3

Molecular Mass

336.51

Cite this Page

Pregnanetriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1098-45-9 (retrieved 2024-04-18) (CAS RN: 1098-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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-/m0/s1

InChIKey

InChIKey=SCPADBBISMMJAW-UHHUKTEYSA-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, (3α,5β,20S)-
  • 5β-Pregnane-3α,17,20α-triol
  • (3α,5β,20S)-Pregnane-3,17,20-triol
  • 5β-Pregnane-3α,17α,20α-triol
  • 3α,17α,20α-Trihydroxy-5β-pregnane

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Deleted or Replaced CAS Registry Numbers

1369-06-8, 27178-64-9

CAS INSIGHTSTM
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