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1-Benzyl-3a5-dihydroxy-4-(8,11-dihydroxy-9-ethoxy-4-methyl-undec-1-enyl)-7-methyl-6-methylene-3-oxo3a,4,5,6,7,7a-hexahydro-isoindoline

View entire compound with spectra: 1 MS (GC)

1-Benzyl-3a5-dihydroxy-4-(8,11-dihydroxy-9-ethoxy-4-methyl-undec-1-enyl)-7-methyl-6-methylene-3-oxo3a,4,5,6,7,7a-hexahydro-isoindoline
SpectraBase Compound ID DBVF1gsHi8j
InChI InChI=1S/C31H47NO6/c1-5-38-27(17-18-33)26(34)16-10-12-20(2)11-9-15-24-29(35)22(4)21(3)28-25(32-30(36)31(24,28)37)19-23-13-7-6-8-14-23/h6-9,13-15,20-21,24-29,33-35,37H,4-5,10-12,16-19H2,1-3H3,(H,32,36)/b15-9-
InChIKey MYZWLTXBTORYFI-DHDCSXOGSA-N
Mol Weight 529.7 g/mol
Molecular Formula C31H47NO6
Exact Mass 529.340338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1CJAHw6Phv
Name 1-Benzyl-3a5-dihydroxy-4-(8,11-dihydroxy-9-ethoxy-4-methyl-undec-1-enyl)-7-methyl-6-methylene-3-oxo3a,4,5,6,7,7a-hexahydro-isoindoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H47NO6
InChI InChI=1S/C31H47NO6/c1-5-38-27(17-18-33)26(34)16-10-12-20(2)11-9-15-24-29(35)22(4)21(3)28-25(32-30(36)31(24,28)37)19-23-13-7-6-8-14-23/h6-9,13-15,20-21,24-29,33-35,37H,4-5,10-12,16-19H2,1-3H3,(H,32,36)/b15-9-
InChIKey MYZWLTXBTORYFI-DHDCSXOGSA-N
Molecular Weight 529.718 g/mol
SMILES OCCC(C(CCCC(C\C=C/C1C(C(C(C2C1(C(NC2Cc1ccccc1)=O)O)C)=C)O)C)O)OCC
SPLASH splash10-052f-9800300000-8e153a0910af5636dfb2
Source of Spectrum IC-1251-0-0
Synonyms 3-Benzyl-7-[(1Z)-9-ethoxy-8,11-dihydroxy-4-methyl-1-undecenyl]-6,7a-dihydroxy-4-methyl-5-methyleneoctahydro-1H-isoindol-1-one
Wiley ID 1403223