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CHEBI:136008 - diacetyl benzoyl lathyrol

ChEBI IDCHEBI:136008
ChEBI Namediacetyl benzoyl lathyrol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC31H38O7
Net Charge0
Average Mass522.638
Monoisotopic Mass522.26175
SMILES[H][C@@]12[C@@H](OC(C)=O)C(=C)CC[C@H]3[C@@H](/C=C(\C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(=O)c1ccccc1)C3(C)C
InChIInChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
InChIKeyJPYYWXPAHJBKJX-VWSFRBHVSA-N
ChEBI Ontology
Outgoing Relation(s)
diacetyl benzoyl lathyrol (CHEBI:136008) is a diterpenoid (CHEBI:23849)
Synonym  Source
Lathyrol-3,15-diacetate 5-benzoateDrugCentral
Manual XrefsDatabases
4620DrugCentral
Registry NumbersSources
CAS:218916-52-0DrugCentral