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

*Links on SpectraBase are not permalinks.

(1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

Compound with spectra: 1 MS (GC)

(1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
SpectraBase Compound ID kbWuyID9W
InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h7-9,11,17-19,21,24-26,29H,10,12-16H2,1-6H3/b8-7+/t19?,21-,24+,25-,26+,28-/m1/s1
InChIKey LAFDOVHKCATTMZ-DJOFTOJQSA-N
Mol Weight 410.6 g/mol
Molecular Formula C28H42O2
Exact Mass 410.318481 g/mol
Enantiomer InChIKey LAFDOVHKCATTMZ-UPIJDCQTSA-N

View Spectrum of (1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-58-1294-3
CALICOFEROL-D
CALCIFEROL-F
(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
6-[(3aS)-(1.beta.,3a.alpha.,4.alpha.,7a.beta.)-1-(N-tert-Butylcarbamoyl)-5-oxo-7a-methyloctahydro-1H-inden-4-yl]ethyl]-4-oxa-5-azaspiro[2,4]hept-5-ene
ISOPHAERODIENE-1
5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-7a-METHYL-4-[1-(PHENYLTHIO)ETHYL]-
.delta.(5,6)-(1R*,2S*,7R*,10S*)-1-Carbomethoxytricyclo[8.4.0]tetradec-2-en-12-one
ISOVITAMIN-D2-ACETATE
Cycloprop[a]inden-4(1H)-one, 6a-acetyloctahydro-1b,5-dimethyl-, [1aR-(1a.alpha.,1b.beta.,5.alpha.,5a.beta.,6a.alpha.)]-
9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, dimethyl phosphate, (3.beta.,5Z,7E,22E)-
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.