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(E)-Labda-8(17),12-diene-15,16-dial
SpectraBase Compound ID Lomk77P8swM
InChI InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+/t17-,18?,20+/m0/s1
InChIKey TZCSIFOYBLPUIF-SIHMFMJHSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bIUutoNZLv
Name (E)-Labda-8(17),12-diene-15,16-dial
Classification Diterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+/t17-,18?,20+/m0/s1
InChIKey TZCSIFOYBLPUIF-SIHMFMJHSA-N
Molecular Weight 302.458 g/mol
Number of Peaks 26
SMILES C1(C2[C@](C)(CCC1)[C@@](C\C=C/(CC=O)C=O)(C(CC2)=C)[H])(C)C
SPLASH splash10-015j-9610000000-0f70b5b77b5efcd196b9
Source of Spectrum FF-12-80-26 (DOI: 10.1002_(SICI)1099-1026(199703)12_2_79)
Synonyms (E)-2-(2-((1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)succinaldehyde (2E)-2-[2-[(1S,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]butanedial (2E)-2-[2-[(1S,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethylidene]butanedial (2E)-2-[2-[(1S,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]butanedial
Wiley ID 1775128