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CHEBI:227143 - (22S,24E)-22-acetoxy-3,7-dioxolanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227143
ChEBI Name(22S,24E)-22-acetoxy-3,7-dioxolanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O6
Net Charge0
Average Mass526.714
Monoisotopic Mass526.32944
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C32H46O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,24-25H,10-17H2,1-8H3,(H,36,37)/b18-9+/t19-,21+,24-,25-,30+,31+,32-/m0/s1
InChIKeyFINNNLBIZLVZCQ-QWTVHKFVSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-22-acetoxy-3,7-dioxolanosta-8,24-dien-26-oic acid (CHEBI:227143) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Manual XrefsDatabases
58914570ChemSpider