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Methyl labd-8(17)-en-19-oate
SpectraBase Compound ID DKroVFfkpjs
InChI InChI=1S/C21H36O2/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/h15,17-18H,3,7-14H2,1-2,4-6H3/t15?,17-,18?,20+,21-/m0/s1
InChIKey AZFQOUOOYWWQQK-PUKNJQSFSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVQVPZXoApH
Name Methyl labd-8(17)-en-19-oate
Alternate Name(s) Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-(3-methylpentyl)decahydro-1-naphthalenecarboxylate
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Formula C21H36O2
InChI InChI=1S/C21H36O2/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/h15,17-18H,3,7-14H2,1-2,4-6H3/t15?,17-,18?,20+,21-/m0/s1
InChIKey AZFQOUOOYWWQQK-PUKNJQSFSA-N
Molecular Weight 320.517 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(CCC(CC)C)[H])=C)C
SPLASH splash10-05fu-9710000000-a5a8a7559f59af2409b7
Source of Spectrum Y4-89-720-5
Wiley ID 1550337