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CHEBI:211385 - Psathergosterol C

ChEBI IDCHEBI:211385
ChEBI NamePsathergosterol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESC[C@H](CC[C@H](C)C(C)(C)O)[C@H]1[C@@H](O)C[C@H]2C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H46O4/c1-16(7-8-17(2)26(3,4)32)25-24(31)15-21-19-14-23(30)22-13-18(29)9-11-27(22,5)20(19)10-12-28(21,25)6/h14,16-18,20-22,24-25,29,31-32H,7-13,15H2,1-6H3/t16-,17+,18-,20+,21+,22+,24+,25+,27-,28+/m1/s1
InChIKeyGQEOTKBKSSXCLY-AKDSGGHOSA-N
Species of MetaboliteComponentSourceComments
Candolleomyces candolleanus (ncbitaxon:71730) - PubMed (31386896)
ChEBI Ontology
Outgoing Relation(s)
Psathergosterol C (CHEBI:211385) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3R,5R,9R,10R,13S,14R,16S,17R)-3,16-dihydroxy-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one