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CHEBI:218363 - 3beta-acetoxylanosta-7,9(11),24-trien-21-oic acid

Default Structure
ChEBI IDCHEBI:218363
ChEBI Name3beta-acetoxylanosta-7,9(11),24-trien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O4
Net Charge0
Average Mass496.732
Monoisotopic Mass496.35526
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C
InChIInChI=1S/C32H48O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,12,15,22-23,26-27H,9,11,13-14,16-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1
InChIKeyAKQDAKHMCBBXHG-NFOHWCJDSA-N
Species of MetaboliteComponentSourceComments
Ceriporia (ncbitaxon:40427) - DOI (10.1002/hlca.201300002)
ChEBI Ontology
Outgoing Relation(s)
3beta-acetoxylanosta-7,9(11),24-trien-21-oic acid (CHEBI:218363) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Manual XrefsDatabases
58825953ChemSpider