(3β,5α,6α)-5,6-Epoxy-3-hydroxypregn-16-en-20-one
CAS Registry Number®
13485-13-7
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CAS Name
(3β,5α,6α)-5,6-Epoxy-3-hydroxypregn-16-en-20-oneMolecular Formula
C21H30O3Molecular Mass
330.46Cite this Page
(3β,5α,6α)-5,6-Epoxy-3-hydroxypregn-16-en-20-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13485-13-7 (retrieved ) (CAS RN: 13485-13-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3/t13-,14-,16-,17-,18-,19+,20+,21-/m0/s1
InChIKey
InChIKey=FJOFXGFQXDZWJF-XQYCTUDZSA-N
SMILES
C[C@]12[C@@]3([C@@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CC=C5C(C)=O)[H])[H])[H])[H])C[C@@H](O)CC2
Canonical SMILES
O=C(C1=CCC2C3CC4OC54CC(O)CCC5(C)C3CCC12C)C
Other Names for this Substance
- Pregn-16-en-20-one, 5,6-epoxy-3-hydroxy-, (3β,5α,6α)-
- 5α-Pregn-16-en-20-one, 5,6α-epoxy-3β-hydroxy-
- (3β,5α,6α)-5,6-Epoxy-3-hydroxypregn-16-en-20-one
- 5α,6α-Epoxy-3β-hydroxy-16-pregnen-20-one
