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CHEBI:216589 - Phomosterol B

ChEBI IDCHEBI:216589
ChEBI NamePhomosterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCc1cc2c(c3c1[C@@H]1CC[C@H]([C@H](C)[C@@H](CC(=O)CO)C(C)C)[C@@]1(C)CC3)CC[C@H](O)C2
InChIInChI=1S/C28H42O3/c1-16(2)24(14-21(31)15-29)18(4)25-8-9-26-27-17(3)12-19-13-20(30)6-7-22(19)23(27)10-11-28(25,26)5/h12,16,18,20,24-26,29-30H,6-11,13-15H2,1-5H3/t18-,20+,24+,25-,26+,28-/m1/s1
InChIKeyVAFAKTFLPDAAQD-JNLOXPPOSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/j.tetlet.2020.152578)
ChEBI Ontology
Outgoing Relation(s)
Phomosterol B (CHEBI:216589) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(4S)-1-hydroxy-4-[(1R)-1-[(3S,13R,14R,17R)-3-hydroxy-7,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-methylhexan-2-one
Manual XrefsDatabases
101936390ChemSpider