Products 60976-49-0

CAS 60976-49-0 appears in our catalog under these names: Geraniin, Geraniin/ 99.92% (existing batch purity), Geraniin 98%, Geraniin, 98%, 98%, Geraniin, 99.82%. Offered by: GLPBio, TargetMol, Biosynth, Ambeed, Chemat. Available pack sizes: 20mg, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg.

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

Geraniin is a tannin.

Source: ChEBI

Identity
Molecular formulaC41H28O27
Molecular weight952.6 g/mol
IUPAC name[(1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl] 3,4,5-trihydroxybenzoate
InChIKeyJQQBXPCJFAKSPG-SVYIMCMUSA-N
SMILESC1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O

Computed by PubChem (NCBI)