CHEBI:223346 - 7alpha-hydroxy-24,25-epoxy-3-oxolanosta-8-ene

ChEBI IDCHEBI:223346
ChEBI Name7alpha-hydroxy-24,25-epoxy-3-oxolanosta-8-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESC[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O
InChIInChI=1S/C30H48O3/c1-18(9-10-24-27(4,5)33-24)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,21-22,24,31H,9-17H2,1-8H3/t18-,19-,21-,22+,24?,28-,29-,30+/m1/s1
InChIKeyGIXGLCUHJRZOQG-DBWOQBLQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (32733078)
ChEBI Ontology
Outgoing Relation(s)
7alpha-hydroxy-24,25-epoxy-3-oxolanosta-8-ene (CHEBI:223346) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,7R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-7-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one