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

*Links on SpectraBase are not permalinks.

(1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one
SpectraBase Compound ID 1G3QC6cKjyg
InChI InChI=1S/C20H30O3/c1-12(21)15-4-5-16-14-11-23-18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h14-18H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey UBHDANTZAZWXEK-QTCMIBMWSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GTUWbHPQlF7
Name (1S,3as,3bs,5as,9ar,9bs,11As)-1-acetyl-9A,11A-dimethyl-2,3,3A,3B,4,5A,6,8,9,9B,10,11-dodecahydro-1H-indeno[4,5-C]chromen-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.219494823 u
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(21)15-4-5-16-14-11-23-18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h14-18H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey UBHDANTZAZWXEK-QTCMIBMWSA-N
Molecular Weight 318.457 g/mol
SMILES [C@@]12([C@]([C@@]3(CO[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893504