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5H-Inden-5-one, 1-(1,1-dimethylethoxy)-4,4-bis(4,8-dimethyl-3,7-nonadienyl)-1,2,4,6,7 ,7a-hexahydro-7a-methyl-, [1.alpha.,4(E),4(E),7a.alpha.]-
SpectraBase Compound ID Jp9kh7hbkdP
InChI InChI=1S/C36H58O2/c1-27(2)15-11-17-29(5)19-13-24-36(25-14-20-30(6)18-12-16-28(3)4)31-21-22-33(38-34(7,8)9)35(31,10)26-23-32(36)37/h15-16,19-21,33H,11-14,17-18,22-26H2,1-10H3/b29-19+,30-20+
InChIKey VGIGZDGIWUDQFI-CZYCKNNWSA-N
Mol Weight 522.9 g/mol
Molecular Formula C36H58O2
Exact Mass 522.443681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGaUGhSImu3
Name 5H-Inden-5-one, 1-(1,1-dimethylethoxy)-4,4-bis(4,8-dimethyl-3,7-nonadienyl)-1,2,4,6,7 ,7a-hexahydro-7a-methyl-, [1.alpha.,4(E),4(E),7a.alpha.]-
CAS Registry Number 73599-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H58O2
InChI InChI=1S/C36H58O2/c1-27(2)15-11-17-29(5)19-13-24-36(25-14-20-30(6)18-12-16-28(3)4)31-21-22-33(38-34(7,8)9)35(31,10)26-23-32(36)37/h15-16,19-21,33H,11-14,17-18,22-26H2,1-10H3/b29-19+,30-20+
InChIKey VGIGZDGIWUDQFI-CZYCKNNWSA-N
Molecular Weight 522.858 g/mol
SMILES C1=2C(C(OC(C)(C)C)CC2)(CCC(C1(CC\C=C\(CCC=C(C)C)C)CC\C=C\(CCC=C(C)C)C)=O)C
SPLASH splash10-01b9-9108000000-8611cdc16344bb3cd80a
Source of Spectrum K-113-388-0
Synonyms 1-tert-Butoxy-4,4-bis(4,8-dimethyl-3,7-nonadienyl)-1,2,46,7,7a-hexahydro-7a-methyl-5H-inden-5-one 1-tert-Butoxy-4,4-bis[(3E)-4,8-dimethyl-3,7-nonadienyl]-7a-methyl-1,2,4,6,7,7a-hexahydro-5H-inden-5-one
Wiley ID 1402341