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CHEBI:205482 - (25S,3'S)-(+)-12alpha-hydroxy-3alpha-(3'-hydroxy-4'-methoxycarbonyl-3'-methylbutyryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:205482
ChEBI Name(25S,3'S)-(+)-12alpha-hydroxy-3alpha-(3'-hydroxy-4'-methoxycarbonyl-3'-methylbutyryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O8
Net Charge0
Average Mass644.890
Monoisotopic Mass644.42882
SMILESC=C(CCC(C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)[C@H](C)C(=O)O
InChIInChI=1S/C38H60O8/c1-22(24(3)33(42)43)11-12-23(2)25-15-18-37(8)26-13-14-28-34(4,5)30(46-32(41)21-35(6,44)20-31(40)45-10)16-17-36(28,7)27(26)19-29(39)38(25,37)9/h23-25,28-30,39,44H,1,11-21H2,2-10H3,(H,42,43)/t23?,24-,25+,28?,29-,30+,35?,36+,37-,38-/m0/s1
InChIKeyJJYYLQGYXTZKMO-OXGHPADBSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis betulina (ncbitaxon:40450) - PubMed (12932134)
ChEBI Ontology
Outgoing Relation(s)
(25S,3'S)-(+)-12alpha-hydroxy-3alpha-(3'-hydroxy-4'-methoxycarbonyl-3'-methylbutyryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid (CHEBI:205482) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S)-6-[(3R,10S,12S,13R,14S,17R)-12-hydroxy-3-(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
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