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Methyl ester of [1S-(1.alpha.(2E,4E),4a.beta.,8a.alpha.)]-7-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-5-methyl-2,4-heptadienoic acid
SpectraBase Compound ID DmApHUWGt50
InChI InChI=1S/C23H36O2/c1-17(9-7-10-21(24)25-6)11-13-19-18(2)12-14-20-22(3,4)15-8-16-23(19,20)5/h7,9-10,19-20H,2,8,11-16H2,1,3-6H3/b10-7+,17-9+/t19-,20+,23-/m0/s1
InChIKey UDXFYWHHMKZBIU-MVRHIPPOSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FIbqdXcqht
Name Methyl ester of [1S-(1.alpha.(2E,4E),4a.beta.,8a.alpha.)]-7-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-5-methyl-2,4-heptadienoic acid
CAS Registry Number 87953-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-17(9-7-10-21(24)25-6)11-13-19-18(2)12-14-20-22(3,4)15-8-16-23(19,20)5/h7,9-10,19-20H,2,8,11-16H2,1,3-6H3/b10-7+,17-9+/t19-,20+,23-/m0/s1
InChIKey UDXFYWHHMKZBIU-MVRHIPPOSA-N
Molecular Weight 344.539 g/mol
SMILES [C@]12([C@@](C(C)(C)CCC2)(CCC([C@@]1(CC\C(=C\C=C\C(=O)OC)C)[H])=C)[H])C
SPLASH splash10-004r-0926000000-a4ce6b9ae3021ca6d660
Source of Spectrum J-49-331-0
Synonyms Methyl (2E,4E)-7-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-5-methyl-2,4-heptadienoate
Wiley ID 1338348