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2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl)-3-methyl-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID FAOYTrPLVvt
InChI InChI=1S/C20H30O3/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/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16+,20-/m0/s1
InChIKey HZIPQMQRBXJVNO-DUFXVKOSSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7q6c1gv9pi
Name 2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl)-3-methyl-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
Alternate Name(s) (2E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid 3-Oxolabda-8(20),13-dien-15-carboxylic acid
CAS Registry Number 63399-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/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/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16+,20-/m0/s1
InChIKey HZIPQMQRBXJVNO-DUFXVKOSSA-N
Molecular Weight 318.457 g/mol
SMILES OC(\C=C\(CC[C@@]1([C@]2([C@@](C(C)(C)C(CC2)=O)(CCC1=C)[H])C)[H])C)=O
SPLASH splash10-05g3-1932000000-2c742269ce02fd64ed66
Source of Spectrum F-33-149-0
Wiley ID 1318772