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CHEBI:216498 - 2beta,3beta,12alpha-trihydroxyergosta-7,24(28)-diene

ChEBI IDCHEBI:216498
ChEBI Name2beta,3beta,12alpha-trihydroxyergosta-7,24(28)-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(C)C
InChIInChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-11-12-22-20-10-9-19-13-24(29)25(30)15-27(19,5)23(20)14-26(31)28(21,22)6/h10,16,18-19,21-26,29-31H,3,7-9,11-15H2,1-2,4-6H3/t18-,19+,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyPZFLLPAODZLJIV-GKTHOFNDSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia pseudotheobromae (ncbitaxon:466954) - DOI (10.1016/j.tetlet.2020.151737)
ChEBI Ontology
Outgoing Relation(s)
2beta,3beta,12alpha-trihydroxyergosta-7,24(28)-diene (CHEBI:216498) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,3R,5S,9R,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol