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CHEBI:9025 - Sapelin A

Default Structure
ChEBI IDCHEBI:9025
ChEBI NameSapelin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@]1([C@]2([H])CC[C@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)CO[C@@H](C(C)(C)O)[C@H](O)C1
InChIInChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-25,31-33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,24-,25-,28-,29+,30-/m1/s1
InChIKeyYHJGJKRPDMVIKU-YXSNRNNOSA-N
ChEBI Ontology
Outgoing Relation(s)
Sapelin A (CHEBI:9025) is a triterpenoid (CHEBI:36615)
Synonym  Source
Sapelin AKEGG COMPOUND
Manual XrefsDatabases
C00003754KNApSAcK
C08634KEGG COMPOUND
Registry NumbersSources
CAS:26790-93-2KEGG COMPOUND