CHEBI:212470 - 24-hydroxyolean-12-ene-3, 22-dione

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 24-hydroxyolean-12-ene-3, 22-dione
ChEBI ID CHEBI:212470
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O3
Net Charge 0
Average Mass 454.695
Monoisotopic Mass 454.34470
InChI InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1
InChIKey AKFPPARWAOGYCP-QMTZRBPCSA-N
SMILES O=C1[C@]2([C@H](C3=CC[C@@H]4[C@@]5([C@H]([C@](C(=O)CC5)(CO)C)CC[C@]4([C@]3(C)CC2)C)C)CC(C1)(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 24-hydroxyolean-12-ene-3, 22-dione (CHEBI:212470) is a triterpenoid (CHEBI:36615)
IUPAC Name
(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione
Manual Xref Database
33823649 ChemSpider
View more database links