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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (24S)-7alpha,24-dihydroxy-3-oxolanosta-8,25-diene
ChEBI ID CHEBI:223309
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.711
Monoisotopic Mass 456.36035
InChI InChI=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
InChIKey URDWCNXLUPGEDS-QAYNTXOISA-N
SMILES O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@H](O)C(=C)C)C)CC4)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing (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