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2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, methyl ester, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, methyl ester, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
SpectraBase Compound ID 7kEXdQbnSFD
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h13,16-18,22H,2,7-12H2,1,3-6H3/b14-13+/t16-,17+,18+,21-/m0/s1
InChIKey ZPIMNSSFJAWUGM-KTZARMIISA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPe11SKZ9PC
Name 2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, methyl ester, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
Alternate Name(s) 3-Hydroxylabda-8(20),13-dien-15-oic acid methylester Methyl (2E)-5-[(1S,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate
CAS Registry Number 63399-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h13,16-18,22H,2,7-12H2,1,3-6H3/b14-13+/t16-,17+,18+,21-/m0/s1
InChIKey ZPIMNSSFJAWUGM-KTZARMIISA-N
Molecular Weight 334.500 g/mol
SMILES O[C@@]1(CC[C@@]2([C@@](C1(C)C)(CCC([C@@]2(CC\C(=C\C(=O)OC)C)[H])=C)[H])C)[H]
SPLASH splash10-000i-0936000000-ed68dba51dfd9adf3901
Source of Spectrum F-33-149-0
Wiley ID 1331299