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

*Links on SpectraBase are not permalinks.

(2aS,3R,9aR)-Methyl 3-(1',1'-dimethoxybut-3'-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benz[cd]azulene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(2aS,3R,9aR)-Methyl 3-(1',1'-dimethoxybut-3'-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benz[cd]azulene-3-carboxylate
SpectraBase Compound ID 2ufzLt1JsXa
InChI InChI=1S/C23H32O6/c1-13-9-16(26-3)11-15-7-8-23(22(25)29-6,14(2)10-19(27-4)28-5)17-12-18(24)20(13)21(15)17/h9,11,14,17,19-20H,7-8,10,12H2,1-6H3/t14-,17-,20-,23+/m0/s1
InChIKey QTUQQSHKECCOMJ-UXUJQHKVSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 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 QR0o3ShmL6
Name (2aS,3R,9aR)-Methyl 3-(1',1'-dimethoxybut-3'-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benz[cd]azulene-3-carboxylate
Alternate Name(s) (2aS,3R,9aR)-Methyl 3-(1,1-dimethoxybut-3-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benz[cd]azulene-3-carboxylate Methyl (2aS,3R,9aR)-3-[(1S)-3,3-dimethoxy-1-methylpropyl]-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benzo[cd]azulene-3-carboxylate Methyl 3-(1',1'-dimethoxybut-3'-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,9a-hexahydro-1H-benz[cd]azulene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-13-9-16(26-3)11-15-7-8-23(22(25)29-6,14(2)10-19(27-4)28-5)17-12-18(24)20(13)21(15)17/h9,11,14,17,19-20H,7-8,10,12H2,1-6H3/t14-,17-,20-,23+/m0/s1
InChIKey QTUQQSHKECCOMJ-UXUJQHKVSA-N
Molecular Weight 404.503 g/mol
SMILES C1=2[C@]3([C@@]([C@](CC(OC)OC)(C)[H])(C(=O)OC)CCC2C=C(OC)C=C([C@]1(C(=O)C3)[H])C)[H]
SPLASH splash10-000i-9130000000-7ff26656d852f3fc5e45
Source of Spectrum B-52-1106-39
Wiley ID 746834