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CHEBI:207858 - Penicisteroid F

ChEBI IDCHEBI:207858
ChEBI NamePenicisteroid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O7
Net Charge0
Average Mass522.723
Monoisotopic Mass522.35565
SMILESCC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@]4(O)C[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/C30H50O7/c1-15(2)16(3)8-9-17(4)24-22(37-18(5)31)12-20-23-25(21(33)14-28(20,24)6)29(7)11-10-19(32)13-30(29,36)27(35)26(23)34/h8-9,15-17,19-27,32-36H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29+,30-/m0/s1
InChIKeyHFUCIIVEICGGNB-SUDBBCPOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30893778)
ChEBI Ontology
Outgoing Relation(s)
Penicisteroid F (CHEBI:207858) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5R,6R,7R,8S,9S,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6,7,11-pentahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
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73930371ChemSpider