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CHEBI:204996 - 22b-Acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid

Default Structure
ChEBI IDCHEBI:204996
ChEBI Name22b-Acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+/t19?,23-,24+,25?,26-,27+,30-,31-,32-/m1/s1
InChIKeyPXBRGMAJKPPNOG-DRIPWNGSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (21401205)
ChEBI Ontology
Outgoing Relation(s)
22b-Acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid (CHEBI:204996) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S)-5-acetyloxy-6-[(3R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78439692ChemSpider