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4-BETA-CARBOMETHOXY-12-DEHYDRO-13-DEHYDROXYMANOOL

View entire compound with spectra: 3 NMR, and 7 MS (GC)

4-BETA-CARBOMETHOXY-12-DEHYDRO-13-DEHYDROXYMANOOL
SpectraBase Compound ID LJoxiKBf19N
InChI InChI=1S/C21H32O2/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/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+
InChIKey WYJKGKPQXWDIQP-OQLLNIDSSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKQz85CwUio
Name 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-(1.alpha.,4a.alpha.,5.alpha.,8a.beta.)]-
CAS Registry Number 1235-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/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/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+
InChIKey WYJKGKPQXWDIQP-OQLLNIDSSA-N
Molecular Weight 316.485 g/mol
SMILES COC(=O)C1(C)CCCC2(C)C(C\C=C/(C)C=C)C(=C)CCC12
SPLASH splash10-010r-0924000000-649672f8e936129797c5
Source of Spectrum Va-0-0-0
Synonyms 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]- 1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester 1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic acid methyl ester 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(Z),8a.beta.]]- Labda-8(20),12,14-trien-19-oic acid, methyl ester Labda-8(20),12,14-trien-19-oic acid, methyl ester, (E)- Labda-8(20),12,14-trien-19-oic acid, methyl ester, (Z)- Methyl 1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]decalin-1-carboxylate Methyl 1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl 8(17), E-12,14-labdatrien-19-oate Methyl cis-Communate Methyl communate Methyl ester of trans-communic acid Methyl trans-communate
Wiley ID 738928