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CHEBI:67702 - (−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one

ChEBI IDCHEBI:67702
ChEBI Name(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one
Stars
ASCII Name(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified17 March 2015
DownloadsMolfile
FormulaC35H44O5
Net Charge0
Average Mass544.732
Monoisotopic Mass544.31887
SMILES[H][C@@]12[C@@H](OC(=C)C)/C(C)=C\C[C@]3([H])C(C)(C)[C@]3([H])/C=C(\C)C(=O)[C@@]1(OC(=O)/C=C/c1ccccc1)C[C@H](C)[C@@H]2OC(=C)C
InChIInChI=1S/C35H44O5/c1-21(2)38-31-23(5)15-17-27-28(34(27,8)9)19-24(6)33(37)35(20-25(7)32(30(31)35)39-22(3)4)40-29(36)18-16-26-13-11-10-12-14-26/h10-16,18-19,25,27-28,30-32H,1,3,17,20H2,2,4-9H3/b18-16+,23-15-,24-19+/t25-,27-,28+,30-,31-,32-,35+/m0/s1
InChIKeyMXEVRBCQVDKHEV-CFZYZPLLSA-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)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one (CHEBI:67702) is a cinnamate ester (CHEBI:36087)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-3,5-di-O-isopropylidenelathyra-6,12-dien-14-one (CHEBI:67702) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name 
(1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-1,1,3,6,9-pentamethyl-4-oxo-7,8-bis[(prop-1-en-2-yl)oxy]-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl (2E)-3-phenylprop-2-enoate
Citations