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2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1.alpha.(Z),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID DujAElJEiJw
InChI InChI=1S/C21H34O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,17-18H,2,7-13H2,1,3-6H3/b15-14-/t17-,18-,21+/m1/s1
InChIKey KYTKOCVFNCZSSC-ZRMNQJHBSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDdPkF6RQpF
Name 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1.alpha.(Z),4a.beta.,8a.alpha.]]-
Alternate Name(s) Methyl (2Z)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate Methyl ester of 5.beta.,9.beta.,10.alpha.-8(20),13-labdadien-15-oic acid (isomer b)
CAS Registry Number 67010-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,17-18H,2,7-13H2,1,3-6H3/b15-14-/t17-,18-,21+/m1/s1
InChIKey KYTKOCVFNCZSSC-ZRMNQJHBSA-N
Molecular Weight 318.501 g/mol
SMILES [C@]12([C@@](C(C)(C)CCC2)(CCC([C@]1(CC\C(=C/C(=O)OC)C)[H])=C)[H])C
SPLASH splash10-0mja-8901000000-450985f68c497c795932
Source of Spectrum H-61-1008-0
Wiley ID 1318994