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CHEBI:198745 - Panuosterone

ChEBI IDCHEBI:198745
ChEBI NamePanuosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O7
Net Charge0
Average Mass494.669
Monoisotopic Mass494.32435
SMILESCC(C)C(C)(O)C[C@@H](O)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)C3CC[C@]12C
InChIInChI=1S/C28H46O7/c1-15(2)26(5,33)14-23(32)27(6,34)22-8-10-28(35)17-11-19(29)18-12-20(30)21(31)13-24(18,3)16(17)7-9-25(22,28)4/h11,15-16,18,20-23,30-35H,7-10,12-14H2,1-6H3/t16?,18-,20+,21-,22-,23+,24+,25+,26?,27?,28+/m0/s1
InChIKeyYXPVYQIMXPYFSF-NABXSPMLSA-N
Species of MetaboliteComponentSourceComments
Tapinella panuoides (ncbitaxon:80604) - DOI (10.1016/s0031-9422(98)00448-8)
ChEBI Ontology
Outgoing Relation(s)
Panuosterone (CHEBI:198745) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(3R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78445656ChemSpider