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Physacoztolide E

View entire compound with spectra: 1 MS (GC)

Physacoztolide E
SpectraBase Compound ID 7kWM4aofb8a
InChI InChI=1S/C30H40O7/c1-17-15-25(37-26(33)18(17)2)28(5,34)23-12-14-30(35)22-10-9-20-7-6-8-24(32)27(20,4)21(22)11-13-29(23,30)16-36-19(3)31/h6,8-9,21-23,25,34-35H,7,10-16H2,1-5H3/t21-,22+,23+,25+,27-,28+,29-,30+/m0/s1
InChIKey UMODUFSAJMSFTP-QUFYOABESA-N
Mol Weight 512.6 g/mol
Molecular Formula C30H40O7
Exact Mass 512.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4j4yprjaSvG
Name Physacoztolide E
Alternate Name(s) Acetic acid [(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl ester [(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate [(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate [(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-1-oxidanyl-ethyl]-10-methyl-14-oxidanyl-1-oxidanylidene-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl ethanoate
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Formula C30H40O7
InChI InChI=1S/C30H40O7/c1-17-15-25(37-26(33)18(17)2)28(5,34)23-12-14-30(35)22-10-9-20-7-6-8-24(32)27(20,4)21(22)11-13-29(23,30)16-36-19(3)31/h6,8-9,21-23,25,34-35H,7,10-16H2,1-5H3/t21-,22+,23+,25+,27-,28+,29-,30+/m0/s1
InChIKey UMODUFSAJMSFTP-QUFYOABESA-N
Molecular Weight 512.643 g/mol
SMILES O[C@]([C@@]1([C@@]2([C@@](CC1)([C@@]1(CC=C3CC=CC([C@@]3([C@]1(CC2)[H])C)=O)[H])O)COC(=O)C)[H])([C@@]1(OC(=O)C(=C(C1)C)C)[H])C
SPLASH splash10-06fu-3966300000-994fcb6da1e2d81e6b1f
Source of Spectrum G4-69-1032-9
Wiley ID 1694447