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[(1S,4aR,4bS,5R,7S,8aS,10aS)-5-acetoxy-1,4a,7-trimethyl-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,5R,7S,8aS,10aS)-5-acetoxy-1,4a,7-trimethyl-9-oxo-7-vinyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-1-yl]methyl acetate
SpectraBase Compound ID 15wXcXDnUqv
InChI InChI=1S/C24H36O5/c1-7-22(4)12-17-18(27)11-20-23(5,14-28-15(2)25)9-8-10-24(20,6)21(17)19(13-22)29-16(3)26/h7,17,19-21H,1,8-14H2,2-6H3/t17-,19-,20-,21-,22+,23-,24-/m1/s1
InChIKey ZNLORDGVPWXZEN-MXCOBIOVSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwBZLT3MTtF
Name [(1S,4aR,4bS,5R,7S,8aS,10aS)-5-acetoxy-1,4a,7-trimethyl-9-oxo-7-vinyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-1-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-7-22(4)12-17-18(27)11-20-23(5,14-28-15(2)25)9-8-10-24(20,6)21(17)19(13-22)29-16(3)26/h7,17,19-21H,1,8-14H2,2-6H3/t17-,19-,20-,21-,22+,23-,24-/m1/s1
InChIKey ZNLORDGVPWXZEN-MXCOBIOVSA-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([H])[C@@]2([C@](OC(=O)C)(C[C@](C=C)(C)C3)[H])[H])([C@@](C)(COC(=O)C)C1)[H])C
SPLASH splash10-05al-0942000000-87424f5681bb59b304d7
Source of Spectrum G4-66-397-12a
Wiley ID 1881290