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CHEBI:204753 - 16alpha-acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid

Default Structure
ChEBI IDCHEBI:204753
ChEBI Name16alpha-acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O5
Net Charge0
Average Mass526.758
Monoisotopic Mass526.36582
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(38-21(4)34)18-33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-26,28H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1
InChIKeyPGBDADPMOWDBTQ-SJXZRTDNSA-N
Species of MetaboliteComponentSourceComments
Daedaleopsis tricolor (ncbitaxon:76330) - DOI (10.1016/s0031-9422(00)00130-8)
ChEBI Ontology
Outgoing Relation(s)
16alpha-acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid (CHEBI:204753) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
78439690ChemSpider