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CHEBI:67699 - (−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one

ChEBI IDCHEBI:67699
ChEBI Name(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one
Stars
ASCII Name(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified6 February 2018
DownloadsMolfile
FormulaC29H36O5
Net Charge0
Average Mass464.602
Monoisotopic Mass464.25627
SMILES[H][C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)/C(C)=C\C[C@]3([H])C(C)(C)[C@]3([H])/C=C(\C)C(=O)[C@@]1(O)C[C@H](C)[C@@H]2O
InChIInChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1
InChIKeyZBELSIALTHIOTO-HUFSBHEJSA-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)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one (CHEBI:67699) is a cinnamate ester (CHEBI:36087)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one (CHEBI:67699) is a lathyrane diterpenoid (CHEBI:85247)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one (CHEBI:67699) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-4a,7-dihydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,8,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-8-yl (2E)-3-phenylprop-2-enoate
Registry NumbersSources
Reaxys:21556529Reaxys
Citations