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CHEBI:207871 - Penicisteroid H

ChEBI IDCHEBI:207871
ChEBI NamePenicisteroid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILESCC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C
InChIInChI=1S/C30H50O5/c1-16(2)17(3)8-9-18(4)26-24(35-19(5)31)15-22-25-21(11-13-30(22,26)7)29(6)12-10-20(32)14-23(29)27(33)28(25)34/h8-9,16-18,20-28,32-34H,10-15H2,1-7H3/b9-8+/t17-,18+,20-,21-,22-,23+,24-,25+,26-,27-,28+,29+,30-/m0/s1
InChIKeyXGCBEJNSJGKYKN-WIJDSFKRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30893778)
ChEBI Ontology
Outgoing Relation(s)
Penicisteroid H (CHEBI:207871) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5S,6S,7R,8R,9S,10R,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
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73930373ChemSpider