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CHEBI:216180 - 6alpha-hydroxyandrastin C

ChEBI IDCHEBI:216180
ChEBI Name6alpha-hydroxyandrastin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@@H](O)C[C@@]12C
InChIInChI=1S/C28H40O7/c1-14-12-18-25(6)11-10-19(35-16(3)29)24(4,5)20(25)17(30)13-26(18,7)28(23(33)34-9)22(32)15(2)21(31)27(14,28)8/h12,17-20,30-31H,10-11,13H2,1-9H3/t17-,18-,19-,20+,25-,26-,27-,28+/m0/s1
InChIKeyIRLBNXYBLLPCSS-CNGJYAJJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26731665)
ChEBI Ontology
Outgoing Relation(s)
6alpha-hydroxyandrastin C (CHEBI:216180) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (3S,5S,6S,8S,9S,10S,13R,14R)-3-acetyloxy-6,17-dihydroxy-4,4,8,10,12,13,16-heptamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
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78439296ChemSpider