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CHEBI:225548 - Gloeophyllin C

ChEBI IDCHEBI:225548
ChEBI NameGloeophyllin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC3)C(C)C
InChIInChI=1S/C30H48O4/c1-17(2)18(3)8-9-19(4)21-11-12-22-20-10-13-24-28(5,23(20)16-26(32)29(21,22)6)15-14-25(31)30(24,7)27(33)34/h17,19,21-22,24-26,31-32H,3,8-16H2,1-2,4-7H3,(H,33,34)/t19-,21-,22+,24-,25+,26-,28-,29-,30+/m1/s1
InChIKeyIMGKMHFYJMZGRX-UFUMCKKASA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin C (CHEBI:225548) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid