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4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid

Compound with spectra: 1 MS (GC)

4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid
SpectraBase Compound ID LEJdszipDfg
InChI InChI=1S/C35H52O7/c1-30(2)15-17-35(29(40)41-8)18-16-33(6)21(22(35)20-30)19-23(36)28-32(5)13-12-25(42-27(39)10-9-26(37)38)31(3,4)24(32)11-14-34(28,33)7/h19,22,24-25,28H,9-18,20H2,1-8H3,(H,37,38)/t22-,24+,25+,28-,32+,33-,34-,35+/m1/s1
InChIKey XKXVGXJZTICEML-YJUOJZGSSA-N
Mol Weight 584.8 g/mol
Molecular Formula C35H52O7
Exact Mass 584.371304 g/mol
Enantiomer InChIKey XKXVGXJZTICEML-UGVHGMRSSA-N

View Spectrum of 4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid

MS (GC) Spectrum
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Source of Spectrum O-24-106-4
4-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid
3b-O-(3-Carboxy-propionyl)-11-oxo-18a-oleanolic acid, methyl ester
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