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CHEBI:224364 - Bybetaochlamysol

Default Structure
ChEBI IDCHEBI:224364
ChEBI NameBybetaochlamysol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3[C@@H]([C@@H](O)C(=O)[C@H]2C1)[C@@H]1C[C@H](OC(C)=O)[C@H](C(C)/C=C/C(C)C(C)C)[C@@]1(C)C[C@@H]3O
InChIInChI=1S/C32H50O7/c1-16(2)17(3)9-10-18(4)27-25(39-20(6)34)14-22-26-28(24(35)15-32(22,27)8)31(7)12-11-21(38-19(5)33)13-23(31)29(36)30(26)37/h9-10,16-18,21-28,30,35,37H,11-15H2,1-8H3/b10-9+/t17?,18?,21-,22-,23+,24-,25-,26-,27-,28-,30+,31-,32-/m0/s1
InChIKeyHIAPXWJJHDBINR-WFJMSZGVSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (12670042)
ChEBI Ontology
Outgoing Relation(s)
Bybetaochlamysol (CHEBI:224364) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-16-acetyloxy-17-[(E)-5,6-dimethylhept-3-en-2-yl]-7,11-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Manual XrefsDatabases
9214058ChemSpider