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CHEBI:228341 - Polyporenic acid C

ChEBI IDCHEBI:228341
ChEBI NamePolyporenic acid C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILES[H][C@]1([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24?,26+,29-,30-,31+/m1/s1
InChIKeyKPKYWYZPIVAHKU-QLCQRAPFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Polyporenic acid C (CHEBI:228341) is a bile acid (CHEBI:3098)
IUPAC Name 
(2R)-2-[(10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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