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CHEBI:209779 - Penicisteroid A

ChEBI IDCHEBI:209779
ChEBI NamePenicisteroid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O6
Net Charge0
Average Mass506.724
Monoisotopic Mass506.36074
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]3[C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C
InChIInChI=1S/C30H50O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-28,32-35H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21+,22-,23-,24-,25-,26-,27-,28+,29-,30-/m0/s1
InChIKeyVXYHQHOVSPABTG-KJYRXAALSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (21489788)
ChEBI Ontology
Outgoing Relation(s)
Penicisteroid A (CHEBI:209779) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5S,6S,7R,8S,9S,10S,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,6,7,11-tetrahydroxy-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
Manual XrefsDatabases
26339569ChemSpider