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CHEBI:201318 - Phycomysterol A

ChEBI IDCHEBI:201318
ChEBI NamePhycomysterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O
Net Charge0
Average Mass380.616
Monoisotopic Mass380.30792
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@]12C)CC[C@H](O)C4)C(C)C
InChIInChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h8,10,17,19,21,25-26,28H,3,6-7,9,11-16H2,1-2,4-5H3/t19-,21+,25-,26+,27-/m1/s1
InChIKeyKDPTUANESCCNQL-QBRUDOHGSA-N
Species of MetaboliteComponentSourceComments
Phycomyces blakesleeanus (ncbitaxon:4837) - PubMed (9868149)
ChEBI Ontology
Outgoing Relation(s)
Phycomysterol A (CHEBI:201318) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,13R,14R,17R)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
9968864ChemSpider