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METHYL-LABDA-8(17),13Z-DIEN-19-OATE
SpectraBase Compound ID DSLE8RappSE
InChI InChI=1S/C21H34O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,17-18H,3,8-14H2,1-2,4-6H3/b15-7-/t17-,18?,20+,21-/m0/s1
InChIKey WVIVRWKRTVVQTG-HBVKIBMRSA-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 GBjMBrmV1Zz
Name Methyl labd-8(17),13-dien-19-oate
Alternate Name(s) Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-[(3Z)-3-methyl-3-pentenyl]decahydro-1-naphthalenecarboxylate Methyl labda-8(17),13-dien-19-oate
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Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,17-18H,3,8-14H2,1-2,4-6H3/b15-7-/t17-,18?,20+,21-/m0/s1
InChIKey WVIVRWKRTVVQTG-HBVKIBMRSA-N
Molecular Weight 318.501 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(CC\C(=C/C)C)[H])=C)C
SPLASH splash10-0006-9400000000-08d8777f232dab157a4a
Source of Spectrum Y4-89-720-6
Wiley ID 1550336