(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
CAS Registry Number®
516-16-5
CAS Name
(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-oneMolecular Formula
C21H34O4Molecular Mass
350.49Cite this Page
(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=516-16-5 (retrieved ) (CAS RN: 516-16-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
194-200 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
InChIKey=RHQQHZQUAMFINJ-GKWSUJDHSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@@H](C(CO)=O)CC4)[H])(CC[C@]1(C[C@@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(CO)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C
Other Names for this Substance
- Pregnan-20-one, 3,11,21-trihydroxy-, (3β,5α,11β)-
- 5α-Pregnan-20-one, 3β,11β,21-trihydroxy-
- Allocorticosterone, tetrahydro-
- (3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
- Allopregnane-3β,11β,21-triol-20-one
