For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5H-Inden-5-one, 1-(1,1-dimethylethoxy)-4-(4,8-dimethyl-3,7-nonadienyl)-1,2,3,6,7,7a-h exahydro-7a-methyl-, [1S-[1.alpha.,4(E),7a.alpha.]]-
SpectraBase Compound ID 5Marl0qSNhL
InChI InChI=1S/C25H40O2/c1-18(2)10-8-11-19(3)12-9-13-20-21-14-15-23(27-24(4,5)6)25(21,7)17-16-22(20)26/h10,12,23H,8-9,11,13-17H2,1-7H3/b19-12+/t23-,25-/m0/s1
InChIKey SCIQAOVAQCKEBJ-VTVUXOKRSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HGCTrHx9u6y
Name 5H-Inden-5-one, 1-(1,1-dimethylethoxy)-4-(4,8-dimethyl-3,7-nonadienyl)-1,2,3,6,7,7a-h exahydro-7a-methyl-, [1S-[1.alpha.,4(E),7a.alpha.]]-
CAS Registry Number 73593-67-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-18(2)10-8-11-19(3)12-9-13-20-21-14-15-23(27-24(4,5)6)25(21,7)17-16-22(20)26/h10,12,23H,8-9,11,13-17H2,1-7H3/b19-12+/t23-,25-/m0/s1
InChIKey SCIQAOVAQCKEBJ-VTVUXOKRSA-N
Molecular Weight 372.593 g/mol
SMILES C=12[C@@]([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1CC\C=C\(CCC=C(C)C)C)=O)C
SPLASH splash10-06di-6209000000-efc9c38ce4613e7a5d03
Source of Spectrum K-113-387-0
Synonyms (+)-(1S,7aS)-1-tert-Butoxy-4-(4,8-dimethyl-3,7-nonadienyl)-1,2,3,6,7,7a-hexahydro-7a-methyl-5H-inden-5-one (1S,7aS)-1-tert-butoxy-4-[(3E)-4,8-dimethyl-3,7-nonadienyl]-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
Wiley ID 1355864