CHEBI:62440 - soyasapogenol A

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ChEBI Name soyasapogenol A ChEBI ID CHEBI:62440 Definition A pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3β, 21β, 22β and 24-positions. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H50O4 Net Charge 0 Average Mass 474.71560 Monoisotopic Mass 474.37091 InChI InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1 InChIKey CDDWAYFUFNQLRZ-KJVHGCRFSA-N SMILES [H][C@@]12CC(C)(C)[C@@H](O)[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C ChEBI Ontology Outgoing soyasapogenol A (CHEBI:62440) has parent hydride oleanane (CHEBI:36481) soyasapogenol A (CHEBI:62440) is a pentacyclic triterpenoid (CHEBI:25872) Incoming soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) has functional parent soyasapogenol A (CHEBI:62440) soyasaponin A3 (CHEBI:133420) has functional parent soyasapogenol A (CHEBI:62440) IUPAC Name (3β,21β,22β)-olean-12-ene-3,21,22,24-tetrol Synonyms Sources (3β,4β,21β,22β)-olean-12-ene-3,21,22,23-tetrol ChemIDplus 3β,21β,22β,24-tetrahydroxyolean-12-ene ChEBI soyasapogenol A UniProt soyasapogenol-A ChEBI Manual Xrefs Databases C17419 KEGG COMPOUND CPD-13251 MetaCyc View more database links Registry Numbers Types Sources 4888334 Reaxys Registry Number Reaxys 508-01-0 CAS Registry Number ChemIDplus Citation Type Source 12172845 PubMed citation Europe PMC Last Modified 28 February 2017