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CHEBI:216581 - Phomosterol A

ChEBI IDCHEBI:216581
ChEBI NamePhomosterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILESCC(C)[C@H](CC(=O)CO)[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@]12C)CC[C@H](O)C4
InChIInChI=1S/C27H40O3/c1-16(2)24(14-20(30)15-28)17(3)25-9-10-26-23-7-5-18-13-19(29)6-8-21(18)22(23)11-12-27(25,26)4/h5,7,16-17,19,24-26,28-29H,6,8-15H2,1-4H3/t17-,19+,24+,25-,26+,27-/m1/s1
InChIKeySRARJNZLLPYLCM-MUOZSUAASA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/j.tetlet.2020.152578)
ChEBI Ontology
Outgoing Relation(s)
Phomosterol A (CHEBI:216581) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(4S)-1-hydroxy-4-[(1R)-1-[(3S,13R,14R,17R)-3-hydroxy-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-methylhexan-2-one
Manual XrefsDatabases
101936389ChemSpider