(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one
CAS Registry Number®
3513-04-0
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CAS Name
(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-oneMolecular Formula
C21H32O6Molecular Mass
380.48Cite this Page
(3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3513-04-0 (retrieved ) (CAS RN: 3513-04-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
218-223 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey
InChIKey=ATMZVVNNICECKQ-MNSFQJRNSA-N
SMILES
O[C@@]12[C@@]3(O)[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(C[C@@H](O)[C@]1(C)[C@@](C(C)=O)(O)CC2)[H]
Canonical SMILES
O=C(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Pregn-5-en-20-one, 3,8,12,14,17-pentahydroxy-, (3β,12β,14β,17α)-
- 14β,17α-Pregn-5-en-20-one, 3β,8,12β,14,17-pentahydroxy-
- (3β,12β,14β,17α)-3,8,12,14,17-Pentahydroxypregn-5-en-20-one
- Deacylmetaplexigenin
- Desacetylmetaplexigenin
