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2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
SpectraBase Compound ID DOp1dPbsy8e
InChI InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16+,17+,20-/m0/s1
InChIKey LNWOKEZJIRLIDO-YGDSVOJXSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fMejOwcJJL
Name 2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
Alternate Name(s) (2E)-5-[(1S,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid 3-Hydroxylabda-8(20),13-dien-15-oic acid
CAS Registry Number 63399-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16+,17+,20-/m0/s1
InChIKey LNWOKEZJIRLIDO-YGDSVOJXSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]1(C([C@@]2([C@]([C@@](CC\C(=C\C(=O)O)C)(C(CC2)=C)[H])(CC1)C)[H])(C)C)[H]
SPLASH splash10-000i-0933000000-010e643c20514fbeadee
Source of Spectrum F-33-149-0
Wiley ID 1320398