EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223353 - (24S*,25R*)-7alpha,26-dihydroxy-24,25-epoxy-3-oxolanosta-8-ene

Default Structure
ChEBI IDCHEBI:223353
ChEBI Name(24S*,25R*)-7alpha,26-dihydroxy-24,25-epoxy-3-oxolanosta-8-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESC[C@H](CCC1OC1(C)CO)[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/C30H48O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,21-22,24,31-32H,8-17H2,1-7H3/t18-,19-,21-,22+,24?,27-,28-,29+,30?/m1/s1
InChIKeyXRLVMZVXPMYCSF-UENBGECISA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (32733078)
ChEBI Ontology
Outgoing Relation(s)
(24S*,25R*)-7alpha,26-dihydroxy-24,25-epoxy-3-oxolanosta-8-ene (CHEBI:223353) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,7R,10S,13R,14R,17R)-7-hydroxy-17-[(2R)-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one