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CHEBI:209374 - Penicisteroid B

ChEBI IDCHEBI:209374
ChEBI NamePenicisteroid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C
InChIInChI=1S/C30H48O4/c1-17(2)18(3)8-9-19(4)27-26(34-20(5)31)15-24-23-11-10-21-14-22(32)12-13-29(21,6)28(23)25(33)16-30(24,27)7/h8-10,17-19,22-28,32-33H,11-16H2,1-7H3/b9-8+/t18-,19+,22-,23-,24-,25-,26-,27-,28+,29-,30-/m0/s1
InChIKeyASJDHPNJTXZGII-ZVMPSDJMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (21489788)
ChEBI Ontology
Outgoing Relation(s)
Penicisteroid B (CHEBI:209374) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,11-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
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78441483ChemSpider