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1-Naphthalenecarboxylic acid, 5-[5-(acetyloxy)-3-methyl-3-pentenyl]decahydro-1,4a-dimethyl-6-methyl ene-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-
SpectraBase Compound ID C0q9IYg1Upq
InChI InChI=1S/C23H36O4/c1-16(12-15-27-18(3)24)8-10-19-17(2)9-11-20-22(19,4)13-7-14-23(20,5)21(25)26-6/h12,19-20H,2,7-11,13-15H2,1,3-6H3/b16-12+/t19-,20+,22+,23-/m0/s1
InChIKey AORYFYLFZDBOMS-AKEOPSGXSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rf98fQIZGC
Name 1-Naphthalenecarboxylic acid, 5-[5-(acetyloxy)-3-methyl-3-pentenyl]decahydro-1,4a-dimethyl-6-methyl ene-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-
Alternate Name(s) Labda-8(20),13-dien-19-oic acid, 15-hydroxy-, methyl ester, acetate, trans- Methyl (1S,4aR,5S,8aR)-5-[(3E)-5-(acetyloxy)-3-methyl-3-pentenyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate Methylester of (E)-15-acetoxylabda-8(17),13-dien-19-oic acid
CAS Registry Number 1909-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-16(12-15-27-18(3)24)8-10-19-17(2)9-11-20-22(19,4)13-7-14-23(20,5)21(25)26-6/h12,19-20H,2,7-11,13-15H2,1,3-6H3/b16-12+/t19-,20+,22+,23-/m0/s1
InChIKey AORYFYLFZDBOMS-AKEOPSGXSA-N
Molecular Weight 376.537 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC\C(=C\COC(=O)C)C)[H])=C)[H])C
SPLASH splash10-0awl-0920000000-376669eae2c81e4fbc6a
Source of Spectrum B-34-1078-0
Wiley ID 1357961