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CHEBI:227515 - Malacosterone

ChEBI IDCHEBI:227515
ChEBI NameMalacosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILESCC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1[C@@H](O)C[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)22-20(31)13-27(35)15-10-17(28)16-11-18(29)19(30)12-24(16,3)14(15)6-9-25(22,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14?,16-,18+,19-,20-,21+,22-,24+,25+,26?,27+/m0/s1
InChIKeyZOKOAVXGNRAXRR-BNUOIZDWSA-N
Species of MetaboliteComponentSourceComments
Tapinella panuoides (ncbitaxon:80604) - DOI (10.1016/s0031-9422(98)00448-8)
ChEBI Ontology
Outgoing Relation(s)
Malacosterone (CHEBI:227515) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,5R,10R,13R,14S,16S,17R)-2,3,14,16-tetrahydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78442748ChemSpider