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CHEBI:67694 - (−)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one

ChEBI IDCHEBI:67694
ChEBI Name(−)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one
Stars
ASCII Name(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified17 March 2015
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILES[H][C@@]12/C=C(\C)CC[C@]3([H])C(C)(C)[C@]3([H])/C=C(\C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(C)=O
InChIInChI=1S/C24H34O5/c1-13-8-9-18-19(23(18,6)7)11-14(2)22(27)24(29-17(5)26)12-15(3)21(20(24)10-13)28-16(4)25/h10-11,15,18-21H,8-9,12H2,1-7H3/b13-10+,14-11+/t15-,18-,19+,20-,21-,24+/m0/s1
InChIKeyNGGOVTJUPVNNNR-CLHRSZSESA-N
Species of MetaboliteComponentSourceComments
Euphorbia micractina (IPNI:347344-1) root (BTO:0001188) PubMed (21534583) Ethanolic extract of roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one (CHEBI:67694) is a acetate ester (CHEBI:47622)
(−)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one (CHEBI:67694) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name 
(1aR,2E,4aR,6S,7S,7aS,8E,11aS)-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,10,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,7-diyl diacetate
Registry NumbersSources
Reaxys:21556522Reaxys
Citations