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

*Links on SpectraBase are not permalinks.
(1S,3aS,4R,5S,7aS)-1-acetoxy-5-(2-carbomethoxy-4-methoxy-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid methyl ester
SpectraBase Compound ID 3Qag4DpAqCo
InChI InChI=1S/C23H30O7/c1-13(24)30-19-9-8-18-20(22(26)29-5)16(10-11-23(18,19)2)15-7-6-14(27-3)12-17(15)21(25)28-4/h6-7,12,16,18-20H,8-11H2,1-5H3/t16?,18?,19-,20?,23-/m0/s1
InChIKey MGIUSUQYJAQATR-IJRBRYEISA-N
Mol Weight 418.49 g/mol
Molecular Formula C23H30O7
Exact Mass 418.199153 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 BT0rw1dYbds
Name (1S,3aS,4R,5S,7aS)-1-acetoxy-5-(2-carbomethoxy-4-methoxy-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O7
InChI InChI=1S/C23H30O7/c1-13(24)30-19-9-8-18-20(22(26)29-5)16(10-11-23(18,19)2)15-7-6-14(27-3)12-17(15)21(25)28-4/h6-7,12,16,18-20H,8-11H2,1-5H3/t16?,18?,19-,20?,23-/m0/s1
InChIKey MGIUSUQYJAQATR-IJRBRYEISA-N
Molecular Weight 418.486 g/mol
SMILES C12[C@@]([C@@](OC(=O)C)(CC2)[H])(CCC(C1C(=O)OC)c1c(C(=O)OC)cc(cc1)OC)C
SPLASH splash10-0006-9010000000-f6998f394eaaad3cf198
Source of Spectrum H1-38-162-5
Synonyms (1S,3aS,4R,5S,7aS)-1-acetyloxy-5-(4-methoxy-2-methoxycarbonylphenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid methyl ester Methyl (1S,3aS,4R,5S,7aS)-1-acetoxy-5-(4-methoxy-2-methoxycarbonyl-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate Methyl (1S,3aS,4R,5S,7aS)-1-acetyloxy-5-(4-methoxy-2-methoxycarbonyl-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate
Wiley ID 756077