Products 760961-03-3

CAS 760961-03-3 appears in our catalog under these names: Hederacoside D , Hederacoside D/ 94.94% (existing batch purity), Hederacoside D, Hederacoside D 99%, Hederacoside D (Standard). Offered by: Chemat Brand, TargetMol, GLPBio, Ambeed, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, Get quote.

Structural formula: {0} (CAS {1})

Cauloside D is a pentacyclic triterpenoid, a carboxylic ester and a triterpenoid saponin. It has a role as an anti-inflammatory agent and a plant metabolite. It is functionally related to a hederagenin.

Source: ChEBI

Identity
Molecular formulaC53H86O22
Molecular weight1075.2 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChIKeyUEHILKCNLIKLEV-LXABABOZSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O

Computed by PubChem (NCBI)