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CHEBI:207301 - (22S,24E)-22-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207301
ChEBI Name(22S,24E)-22-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O7
Net Charge0
Average Mass544.729
Monoisotopic Mass544.34000
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O
InChIInChI=1S/C32H48O7/c1-17(28(37)38)9-10-23(39-19(3)33)18(2)21-15-26(36)32(8)27-20(11-14-31(21,32)7)30(6)13-12-25(35)29(4,5)24(30)16-22(27)34/h9,18,21-24,26,34,36H,10-16H2,1-8H3,(H,37,38)/b17-9+/t18-,21+,22+,23-,24-,26-,30+,31+,32-/m0/s1
InChIKeyQFZCKICULPSVST-LIILPMIWSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-22-acetoxy-7alpha,15alpha-dihydroxy-3-oxoanosta-8,24-dien-26-oic acid (CHEBI:207301) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438934ChemSpider