3α,20-Pregnanediol

CAS Registry Number®

883879-68-3
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CAS Name

3α,20-Pregnanediol

Molecular Formula

C21H36O2

Molecular Mass

320.51

Cite this Page

3α,20-Pregnanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=883879-68-3 (retrieved 2024-05-18) (CAS RN: 883879-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13?,14?,15-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey

InChIKey=YWYQTGBBEZQBGO-KHOKLYTISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)O)CC4)[H])(CCC1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(O)C)C4(C)CCC32)C1

Other Names for this Substance

  • 3α,20-Pregnanediol

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