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

*Links on SpectraBase are not permalinks.

1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, 4-(2-carboxyethyl)octahydro-7a-methyl-5-oxo-1H-inden-1-yl ester, [1.alpha.(3aR*,4R*,7aR*),3a.beta.,4.beta.,7a.alpha.]-

View entire compound with spectra: 1 MS (GC)

1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, 4-(2-carboxyethyl)octahydro-7a-methyl-5-oxo-1H-inden-1-yl ester, [1.alpha.(3aR*,4R*,7aR*),3a.beta.,4.beta.,7a.alpha.]-
SpectraBase Compound ID Jw7G4aKlz6k
InChI InChI=1S/C26H36O7/c1-25-13-11-19(27)16(17(25)5-7-21(25)29)4-10-24(32)33-22-8-6-18-15(3-9-23(30)31)20(28)12-14-26(18,22)2/h15-18,22H,3-14H2,1-2H3,(H,30,31)
InChIKey SFEQTKVIXAOOEO-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H36O7
Exact Mass 460.246103 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 MyKlBnliEY
Name 1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, 4-(2-carboxyethyl)octahydro-7a-methyl-5-oxo-1H-inden-1-yl ester, [1.alpha.(3aR*,4R*,7aR*),3a.beta.,4.beta.,7a.alpha.]-
CAS Registry Number 55821-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O7
InChI InChI=1S/C26H36O7/c1-25-13-11-19(27)16(17(25)5-7-21(25)29)4-10-24(32)33-22-8-6-18-15(3-9-23(30)31)20(28)12-14-26(18,22)2/h15-18,22H,3-14H2,1-2H3,(H,30,31)
InChIKey SFEQTKVIXAOOEO-UHFFFAOYSA-N
Molecular Weight 460.567 g/mol
SMILES OC(CCC1C2C(C)(C(OC(CCC3C4C(C)(C(=O)CC4)CCC3=O)=O)CC2)CCC1=O)=O
SPLASH splash10-0abc-9750000000-5c5c7f867596f4b03a18
Source of Spectrum AB-176-139-1
Synonyms 3-(1-([3-(7a-Methyl-1,5-dioxooctahydro-1H-inden-4-yl)propanoyl]oxy)-7a-methyl-5-oxooctahydro-1H-inden-4-yl)propanoic acid 1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, 4-(2-carboxyethyl)octahydro-7a-methyl-5-oxo-1H-inden-1-yl ester, stereoisomer 3-[1-[3-(1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroinden-4-yl)propanoyloxy]-5-keto-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propionic acid 3-[1-[3-(7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl)-1-oxopropoxy]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propanoic acid 3-[1-[3-(7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl)propanoyloxy]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propanoic acid 3-[1-[3-[7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoyloxy]-7a-methyl-5-oxidanylidene-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propanoic acid
Wiley ID 1390511