For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
18-Norpregna-4,8,11,13-tetraen-3-one, 20,21-dihydroxy-17-methyl-, (17.alpha.,20R)-
SpectraBase Compound ID 7VeCQuo4smf
InChI InChI=1S/C21H26O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-8-10-21(2,19(24)12-22)18(16)6-5-17(15)20/h5-6,11,19,22,24H,3-4,7-10,12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey YYUCISQJFQKYHG-ACRUOGEOSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JMtJDiOWVWx
Name 18-Norpregna-4,8,11,13-tetraen-3-one, 20,21-dihydroxy-17-methyl-, (17.alpha.,20R)-
CAS Registry Number 71379-35-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-8-10-21(2,19(24)12-22)18(16)6-5-17(15)20/h5-6,11,19,22,24H,3-4,7-10,12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey YYUCISQJFQKYHG-ACRUOGEOSA-N
Molecular Weight 326.436 g/mol
SMILES O[C@@](CO)([C@@]1(c2ccc3[C@@]4(C(=CC(CC4)=O)CCc3c2CC1)C)C)[H]
SPLASH splash10-014i-0090000000-f46871b9d827678d1b38
Source of Spectrum KC-1979-1054-0
Synonyms (17beta)-17-[(1R)-1,2-dihydroxyethyl]-10,17-dimethylgona-4,8,11,13-tetraen-3-one 20.alpha.,21-dihydroxy-17.beta.-methyl-18-norpregna-4,8,11,13-tetraen-3-one
Wiley ID 1325089