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CHEBI:211278 - 25-hydroxypanuosterone

ChEBI IDCHEBI:211278
ChEBI Name25-hydroxypanuosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O8
Net Charge0
Average Mass510.668
Monoisotopic Mass510.31927
SMILESCC(O)([C@H](O)CC(C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H46O8/c1-23(2,33)26(5,34)14-22(32)27(6,35)21-8-10-28(36)16-11-18(29)17-12-19(30)20(31)13-24(17,3)15(16)7-9-25(21,28)4/h11,15,17,19-22,30-36H,7-10,12-14H2,1-6H3/t15-,17-,19+,20-,21-,22+,24+,25+,26?,27?,28+/m0/s1
InChIKeySJBJYCZFHXEDBY-HZHFBAJPSA-N
Species of MetaboliteComponentSourceComments
Tapinella panuoides (ncbitaxon:80604) - DOI (10.1016/s0031-9422(98)00448-8)
ChEBI Ontology
Outgoing Relation(s)
25-hydroxypanuosterone (CHEBI:211278) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(3R)-2,3,5,6-tetrahydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78442701ChemSpider