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CHEBI:227161 - (22S,24E)-15alpha,22-diacetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227161
ChEBI Name(22S,24E)-15alpha,22-diacetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O7
Net Charge0
Average Mass572.783
Monoisotopic Mass572.37130
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C34H52O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(37)15-16-32(27,7)23(24)14-17-33(25,34)8/h10,20,25-29,37H,11-18H2,1-9H3,(H,38,39)/b19-10+/t20-,25+,26-,27-,28-,29-,32+,33+,34+/m0/s1
InChIKeyQLSUXTCZOZDHKO-AYGDDODCSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-15alpha,22-diacetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid (CHEBI:227161) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
58914429ChemSpider