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CHEBI:67704 - 15β-O-benzoyl-5alpha-hydroxyisolathyrol

ChEBI IDCHEBI:67704
ChEBI Name15β-O-benzoyl-5alpha-hydroxyisolathyrol
Stars
ASCII Name15beta-O-benzoyl-5alpha-hydroxyisolathyrol
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified17 March 2015
DownloadsMolfile
FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILES[H][C@@]12[C@H](O)/C(C)=C\C[C@]3([H])C(C)(C)[C@]3([H])/C=C(\C)C(=O)[C@@]1(OC(=O)c1ccccc1)C[C@H](C)[C@@H]2O
InChIInChI=1S/C27H34O5/c1-15-11-12-19-20(26(19,4)5)13-16(2)24(30)27(14-17(3)23(29)21(27)22(15)28)32-25(31)18-9-7-6-8-10-18/h6-11,13,17,19-23,28-29H,12,14H2,1-5H3/b15-11-,16-13+/t17-,19-,20+,21-,22+,23-,27+/m0/s1
InChIKeyLIXVTMWBYCIOIH-MMJPDQHMSA-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.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) has role vasodilator agent (CHEBI:35620)
15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) is a benzoate ester (CHEBI:36054)
15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name 
(1aR,2E,4aR,6S,7S,7aR,8S,9Z,11aS)-7,8-dihydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl benzoate
Registry NumbersSources
Reaxys:7152409Reaxys
Citations