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CHEBI:37777 - cimigenol

ChEBI IDCHEBI:37777
ChEBI Namecimigenol
Stars
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@@]34C[C@@]14CC[C@]1(C)[C@@]3([H])[C@H](C)C[C@@]4([H])O[C@@]3(O[C@@H]4C(C)(C)O)[C@H](O)[C@@]21C
InChIInChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChIKeyCNBHUROFMYCHGI-IEUUZZHOSA-N
ChEBI Ontology
Outgoing Relation(s)
cimigenol (CHEBI:37777) has parent hydride cycloartane (CHEBI:37778)
cimigenol (CHEBI:37777) is a triterpenoid (CHEBI:36615)
Incoming Relation(s)
25-O-methoxycimigenol 3-O-α-L-arabinopyranoside (CHEBI:66702) has functional parent cimigenol (CHEBI:37777)
cimicifoetiside (CHEBI:37781) has functional parent cimigenol (CHEBI:37777)
cimifoetiside A (CHEBI:65632) has functional parent cimigenol (CHEBI:37777)
cimifoetiside B (CHEBI:65633) has functional parent cimigenol (CHEBI:37777)
IUPAC Name 
(23R,24S)-16β,23:16α,24-diepoxy-9β,19-cyclolanostane-3β,15α,25-triol
Manual XrefsDatabases
C17538KEGG COMPOUND
Registry NumbersSources
Beilstein:1356354Beilstein