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

*Links on SpectraBase are not permalinks.

(8S,9S,11S,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 2 MS (GC)

(8S,9S,11S,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID LMPLljeKsNX
InChI InChI=1S/C21H27ClO3/c1-20-12-18(25-2)19-15-6-4-14(23)11-13(15)3-5-16(19)17(20)7-8-21(20,24)9-10-22/h4,6,9-11,16-19,23-24H,3,5,7-8,12H2,1-2H3/b10-9+/t16-,17-,18-,19+,20-,21+/m0/s1
InChIKey WYSGEJWYPOTZIV-JBCZNIOISA-N
Mol Weight 362.9 g/mol
Molecular Formula C21H27ClO3
Exact Mass 362.164872 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 EDJkx4uAK2G
Name (8S,9S,11S,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClO3
InChI InChI=1S/C21H27ClO3/c1-20-12-18(25-2)19-15-6-4-14(23)11-13(15)3-5-16(19)17(20)7-8-21(20,24)9-10-22/h4,6,9-11,16-19,23-24H,3,5,7-8,12H2,1-2H3/b10-9+/t16-,17-,18-,19+,20-,21+/m0/s1
InChIKey WYSGEJWYPOTZIV-JBCZNIOISA-N
Molecular Weight 362.897 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(\C=C\Cl)O)(C[C@@]([C@]23[H])(OC)[H])C)[H])[H])c1
SPLASH splash10-01t9-0069000000-51ce19256be71d02bd58
Source of Spectrum F2-41-4691-4
Synonyms (8S,9S,11S,13S,14S,17R)-17-[(E)-2-chloroethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (8S,9S,11S,13S,14S,17R)-17-[(E)-2-chlorovinyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1599898