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4-({(1S,4aR,5S)-Decahydro-5-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalen-1-yl}methoxy)-4-oxobutanoic acid

View entire compound with spectra: 1 MS (GC)

4-({(1S,4aR,5S)-Decahydro-5-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalen-1-yl}methoxy)-4-oxobutanoic acid
SpectraBase Compound ID IyqqGc8ar3i
InChI InChI=1S/C24H38O5/c1-6-23(4,28)15-12-18-17(2)8-9-19-22(3,13-7-14-24(18,19)5)16-29-21(27)11-10-20(25)26/h6,18-19,28H,1-2,7-16H2,3-5H3,(H,25,26)/t18-,19?,22+,23+,24+/m0/s1
InChIKey LMGFVRFXNAGVRH-GNANOBGWSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQD3vMSSBOr
Name 4-({(1S,4aR,5S)-Decahydro-5-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalen-1-yl}methoxy)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-6-23(4,28)15-12-18-17(2)8-9-19-22(3,13-7-14-24(18,19)5)16-29-21(27)11-10-20(25)26/h6,18-19,28H,1-2,7-16H2,3-5H3,(H,25,26)/t18-,19?,22+,23+,24+/m0/s1
InChIKey LMGFVRFXNAGVRH-GNANOBGWSA-N
Molecular Weight 406.563 g/mol
SMILES O[C@@](CC[C@@]1([C@]2(CCC[C@](COC(CCC(=O)O)=O)(C2CCC1=C)C)C)[H])(C=C)C
SPLASH splash10-000i-0962000000-c8a2d3fd1891f64d3ca8
Source of Spectrum CBD-1-1706-1
Synonyms Butanedioic Acid Mono[(13S)-13-hydroxylabda-8(17),14-dien-19-yl] Ester 4-(((1S,4aR,5S)-5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a-dimethyl-6-methylenedecahydronaphthalen-1-yl)methoxy)-4-oxobutanoic acid
Wiley ID 1790042