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CHEBI:228080 - Ganocalidophin B

ChEBI IDCHEBI:228080
ChEBI NameGanocalidophin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESC[C@H](CC[C@H](C)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H46O4/c1-17(7-8-18(2)25(3,4)31)20-11-14-28(32)22-16-24(30)23-15-19(29)9-12-26(23,5)21(22)10-13-27(20,28)6/h16-21,23,29,31-32H,7-15H2,1-6H3/t17-,18+,19+,20-,21+,23-,26-,27-,28-/m1/s1
InChIKeySHEXVLKGCVJHHF-ACCABTHSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - DOI (10.1016/j.phytol.2019.06.006)
ChEBI Ontology
Outgoing Relation(s)
Ganocalidophin B (CHEBI:228080) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9R,10R,13R,14S,17R)-3,14-dihydroxy-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one