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CHEBI:65605 - celasdin B

ChEBI IDCHEBI:65605
ChEBI Namecelasdin B
Stars
DefinitionA pentacyclic triterpenoid that is friedelin substituted by hydroxy groups at positions 16 and 28. It is isolated from the stems of Celastrus hindsii and exhibits anti-HIV activity.
Last Modified10 December 2012
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC[C@]3(C)[C@@H](C)C(=O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]21C
InChIInChI=1S/C30H50O3/c1-19-20(32)8-9-21-26(19,4)11-10-22-27(21,5)13-14-28(6)23-16-25(2,3)12-15-30(23,18-31)24(33)17-29(22,28)7/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23-,24+,26+,27-,28-,29+,30+/m0/s1
InChIKeyZGPGTQGECMDFNI-OJEITCFUSA-N
Species of MetaboliteComponentSourceComments
Celastrus hindsii (ncbitaxon:489979) stem (BTO:0001300) DOI (10.1016/S0031-9422(96)00719-4)
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
celasdin B (CHEBI:65605) has role anti-HIV agent (CHEBI:64946)
celasdin B (CHEBI:65605) has role metabolite (CHEBI:25212)
celasdin B (CHEBI:65605) is a cyclic terpene ketone (CHEBI:36130)
celasdin B (CHEBI:65605) is a diol (CHEBI:23824)
celasdin B (CHEBI:65605) is a pentacyclic triterpenoid (CHEBI:25872)
celasdin B (CHEBI:65605) is a primary alcohol (CHEBI:15734)
celasdin B (CHEBI:65605) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(4R,4aS,6aS,6bR,8R,8aS,12aS,12bS,14aS,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethylicosahydropicen-3(2H)-one
Registry NumbersSources
Reaxys:7660622Reaxys
Citations