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2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID 25fW5ebJgj1
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-/m0/s1
InChIKey KYTKOCVFNCZSSC-WUWQUACMSA-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 B122I7llQZ6
Name 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-
CAS Registry Number 30801-12-8
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-/m0/s1
InChIKey KYTKOCVFNCZSSC-WUWQUACMSA-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 splash10-053r-6911000000-ec3f818c31572eb8146d
Source of Spectrum AD-0-5327-0
Synonyms [1S-(1.alpha.E,4a.beta.,8a.alpha.)]- 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl-3-methyl-2-pentenoic acid, methyl ester (E)-labda-8(20),13-dien-15-oic acid, methyl ester 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]- anti-copalic acid, methyl ester methyl anti-copalate Anticopalate Anticopalic acid, methyl ester Labda-8(20),13-dien-15-oic acid, methyl ester Labda-8(20),13-dien-15-oic acid, methyl ester, (E)- Methyl (2E)-5-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate Methyl 8(17),E13-labda-dien-15-oate Methyl anti-copalate Methyl trans-enantio-copalate trans-enantio-Methyl copalate
Wiley ID 47559