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CHEBI:223309 - (24S)-7alpha,24-dihydroxy-3-oxolanosta-8,25-diene

Default Structure
ChEBI IDCHEBI:223309
ChEBI Name(24S)-7alpha,24-dihydroxy-3-oxolanosta-8,25-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESC=C(C)[C@@H](O)CC[C@@H](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(2)22(31)10-9-19(3)20-11-16-30(8)26-21(12-15-29(20,30)7)28(6)14-13-25(33)27(4,5)24(28)17-23(26)32/h19-20,22-24,31-32H,1,9-17H2,2-8H3/t19-,20-,22+,23-,24+,28-,29-,30+/m1/s1
InChIKeyURDWCNXLUPGEDS-QAYNTXOISA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (32733078)
ChEBI Ontology
Outgoing Relation(s)
(24S)-7alpha,24-dihydroxy-3-oxolanosta-8,25-diene (CHEBI:223309) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,7R,10S,13R,14R,17R)-7-hydroxy-17-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one