Pregnane-3,11,20-triol, (3α,5β,11β,20R)-
CAS Registry Number®
10417-85-3
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CAS Name
Pregnane-3,11,20-triol, (3α,5β,11β,20R)-Molecular Formula
C21H36O3Molecular Mass
336.51Cite this Page
Pregnane-3,11,20-triol, (3α,5β,11β,20R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10417-85-3 (retrieved ) (CAS RN: 10417-85-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
128-130 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
InChIKey
InChIKey=CZHLKVQGWWCQEG-UTCUZKGZSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@@]([C@@H](C)O)(CC4)[H])[H])(CC[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
OC1CCC2(C)C(CCC3C4CCC(C(O)C)C4(C)CC(O)C32)C1
Other Names for this Substance
- Pregnane-3,11,20-triol, (3α,5β,11β,20R)-
- 5β-Pregnane-3α,11β,20β-triol
