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4-Indanpropionic acid, 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-1.beta.-hydroxy-7a.beta.-methyl-5-oxo-, methyl ester, ester with 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-7.alpha..beta.-methyl-1,5-dioxo-4-indanpropionic acid

View entire compound with spectra: 1 MS (GC)

4-Indanpropionic acid, 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-1.beta.-hydroxy-7a.beta.-methyl-5-oxo-, methyl ester, ester with 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-7.alpha..beta.-methyl-1,5-dioxo-4-indanpropionic acid
SpectraBase Compound ID 5qXFocml8Ck
InChI InChI=1S/C27H38O7/c1-26-14-12-20(28)16(18(26)6-8-22(26)30)5-11-25(32)34-23-9-7-19-17(4-10-24(31)33-3)21(29)13-15-27(19,23)2/h16-19,23H,4-15H2,1-3H3
InChIKey FTZPWTDIYKXBKY-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H38O7
Exact Mass 474.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnOvMHbG2lQ
Name 4-Indanpropionic acid, 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-1.beta.-hydroxy-7a.beta.-methyl-5-oxo-, methyl ester, ester with 3a.alpha.,4.beta.,5,6,7,7a-hexahydro-7.alpha..beta.-methyl-1,5-dioxo-4-indanpropionic acid
CAS Registry Number 23212-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O7
InChI InChI=1S/C27H38O7/c1-26-14-12-20(28)16(18(26)6-8-22(26)30)5-11-25(32)34-23-9-7-19-17(4-10-24(31)33-3)21(29)13-15-27(19,23)2/h16-19,23H,4-15H2,1-3H3
InChIKey FTZPWTDIYKXBKY-UHFFFAOYSA-N
Molecular Weight 474.594 g/mol
SMILES CC12C(C(CCC(OC)=O)C(CC2)=O)CCC1OC(CCC1C2C(C)(C(=O)CC2)CCC1=O)=O
SPLASH splash10-0abi-9870000000-45a7906bccd0e966c95f
Source of Spectrum AB-176-143-4
Synonyms 4-(3-Methoxy-3-oxopropyl)-7a-methyl-5-oxooctahydro-1H-inden-1-yl 3-(7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl)propanoate 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 methyl ester 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 methyl ester Methyl 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]propanoate Methyl 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]propanoate
Wiley ID 1393901