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KYTKOCVFNCZSSC-XBJHOTNWSA-N

View entire compound with spectra: 2 NMR, and 2 MS (GC)

KYTKOCVFNCZSSC-XBJHOTNWSA-N
SpectraBase Compound ID IrzpH15Bx6S
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-XBJHOTNWSA-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 DnKfaranTvu
Name 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1.alpha.(E),4a.beta.,8a.alpha.]]-
CAS Registry Number 17110-88-2
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-XBJHOTNWSA-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 splash10-07wj-9810000000-59f9b97a05fe35c0cd59
Source of Spectrum AD-0-1352-0
Synonyms Methyl (13E)-(+)-copalate Methyl (2E)-5-(5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methyl-2-pentenoate (E)-3-Methyl-5-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decahydro-naphthalen-1-yl)-pent-2-enoic acid methyl ester (E)-5-(5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methyl-2-pentenoic acid methyl ester (E)-5-(5,5,8a-trimethyl-2-methylene-decalin-1-yl)-3-methyl-pent-2-enoic acid methyl ester 5.beta.,9.beta.H,10.alpha.-Labda-8(20),13-dien-15-oic acid, methyl ester, (E)- Methyl (E)-5-(5,5,8a-trimethyl-2-methylene-decalin-1-yl)-3-methyl-pent-2-enoate (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenoic acid methyl ester Methyl (E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methyl-pent-2-enoate Methyl (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate Methyl copalate Methyl (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoate Methyl ester of 5.beta.,9.beta.,10.alpha.-8(20),13-Labdadien-15-oic acid (isomer A) Methyl (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoate
Wiley ID 143727