Products 465-99-6

CAS 465-99-6 appears in our catalog under these names: Hederagenin, >95% (HPLC), Hederagenin, Hederagenin/ 99.2% (existing batch purity), Hederagenin, >98.0%(HPLC)(T), Hederagenin 98%. Offered by: TRC, GLPBio, TargetMol, Biosynth, TCI. Available pack sizes: 10mg, 25mg, 5mg, 10mM * 1ml in dmso, 20mg, 0,25g, 50mg, 200mg.

Hederagenin is a sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer). It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a sapogenin and a dihydroxy monocarboxylic acid. It is functionally related to an oleanolic acid. It is a conjugate acid of a hederagenin(1-). It derives from a hydride of an oleanane.

Source: ChEBI

Identity
Molecular formulaC30H48O4
Molecular weight472.7 g/mol
IUPAC name(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyPGOYMURMZNDHNS-MYPRUECHSA-N
SMILESC[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O

Computed by PubChem (NCBI)