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2,6-Nonadienoic acid, 9-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-7-methyl-, methyl ester, [1S-[1.alpha.(2E,6Z),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID 7Ea45leu4bV
InChI InChI=1S/C25H40O2/c1-19(11-8-7-9-12-23(26)27-6)13-15-21-20(2)14-16-22-24(3,4)17-10-18-25(21,22)5/h9,11-12,21-22H,2,7-8,10,13-18H2,1,3-6H3/b12-9+,19-11-/t21-,22+,25-/m0/s1
InChIKey CMGYNHLGBHDZHU-IKHHPIRASA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EERz00XGIuG
Name 2,6-Nonadienoic acid, 9-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-7-methyl-, methyl ester, [1S-[1.alpha.(2E,6Z),4a.beta.,8a.alpha.]]-
CAS Registry Number 131321-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-19(11-8-7-9-12-23(26)27-6)13-15-21-20(2)14-16-22-24(3,4)17-10-18-25(21,22)5/h9,11-12,21-22H,2,7-8,10,13-18H2,1,3-6H3/b12-9+,19-11-/t21-,22+,25-/m0/s1
InChIKey CMGYNHLGBHDZHU-IKHHPIRASA-N
Molecular Weight 372.593 g/mol
SMILES [C@]12([C@@](C(C)(C)CCC2)(CCC([C@@]1(CC\C(=C/CC\C=C\C(=O)OC)C)[H])=C)[H])C
SPLASH splash10-053s-9204000000-ea6baa6639ed21b6d98c
Source of Spectrum KC-1990-2548-3
Synonyms Methyl (2E,6Z)-9-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-7-methyl-2,6-nonadienoate Methyl 9-(5,5,8a-trimethyl-2-methylenedecahydronaphthyl)-7-methylnona-2,6-dienoate
Wiley ID 1355866