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(1R,4aR,5S,8aR)-5-[(2S)-Decahydro-2-hydroxy-3-methylidenepent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic Acid

View entire compound with spectra: 1 MS (GC)

(1R,4aR,5S,8aR)-5-[(2S)-Decahydro-2-hydroxy-3-methylidenepent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic Acid
SpectraBase Compound ID 1yJ8vzXvGgs
InChI InChI=1S/C20H30O3/c1-6-13(2)16(21)12-15-14(3)8-9-17-19(15,4)10-7-11-20(17,5)18(22)23/h6,15-17,21H,1-3,7-12H2,4-5H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1
InChIKey BJIYGXNZLPKDHO-OCBLOMHFSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hlf10jUN0NC
Name (1R,4aR,5S,8aR)-5-[(2S)-Decahydro-2-hydroxy-3-methylidenepent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic Acid
Alternate Name(s) (12S)-12-Hydroxylabda-8(17),13(16),14-trien-18-oic Acid (1R,4aR,5S,8aR)-5-((S)-2-hydroxy-3-methylenepent-4-en-1-yl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-6-13(2)16(21)12-15-14(3)8-9-17-19(15,4)10-7-11-20(17,5)18(22)23/h6,15-17,21H,1-3,7-12H2,4-5H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1
InChIKey BJIYGXNZLPKDHO-OCBLOMHFSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@](C[C@@]1([C@@]2([C@]([C@](C(=O)O)(CCC2)C)(CCC1=C)[H])C)[H])(C(=C)C=C)[H]
SPLASH splash10-0udi-0049000000-4488d6a2752664317db0
Source of Spectrum H-98-127-1
Wiley ID 1786279