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

*Links on SpectraBase are not permalinks.

[(1S,4aR,4bS,7R,8aS,10aR)-4a-(acetoxymethyl)-1,7-dimethyl-9-oxo-7-vinyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-1-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(1S,4aR,4bS,7R,8aS,10aR)-4a-(acetoxymethyl)-1,7-dimethyl-9-oxo-7-vinyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-1-yl]methyl acetate
SpectraBase Compound ID 1evjDrfHNmY
InChI InChI=1S/C24H36O5/c1-6-22(4)11-8-19-18(13-22)20(27)12-21-23(5,14-28-16(2)25)9-7-10-24(19,21)15-29-17(3)26/h6,18-19,21H,1,7-15H2,2-5H3/t18-,19-,21+,22+,23+,24+/m0/s1
InChIKey AUYNOGWEMYBMNM-WSXFYLCASA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 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 D2H0PXcwPvn
Name [(1S,4aR,4bS,7R,8aS,10aR)-4a-(acetoxymethyl)-1,7-dimethyl-9-oxo-7-vinyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-1-yl]methyl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-6-22(4)11-8-19-18(13-22)20(27)12-21-23(5,14-28-16(2)25)9-7-10-24(19,21)15-29-17(3)26/h6,18-19,21H,1,7-15H2,2-5H3/t18-,19-,21+,22+,23+,24+/m0/s1
InChIKey AUYNOGWEMYBMNM-WSXFYLCASA-N
Instrument Name Micromass Autospec
Ionization Type EI
Literature Reference DOI 10.1021/np020457h
Molecular Weight 404.547 g/mol
Reported Formula C24H36O5
SMILES C1C[C@@]2([C@](CC(=O)[C@@]3([C@@]2(CC[C@](C=C)(C)C3)[H])[H])([C@@](C)(COC(C)=O)C1)[H])COC(C)=O
SPLASH splash10-0fk9-0791100000-ebbc9d7eb310a519689e
Source of Spectrum G4-66-397-17a
Wiley ID 1881294