Products 466-01-3

CAS 466-01-3 appears in our catalog under these names: Hederagonic acid, Hederagonic acid, ≥95%. Offered by: MedChemExpress, Chemat. Available pack sizes: 1 mg, 5 mg, 25 mg, 10 mg, 5mg.

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

(4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid (CAS 466-01-3) is a chemical compound with the molecular formula C30H46O4 and a molecular weight of 470.7 g/mol. IUPAC name: (4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid. InChIKey: WCXZTKJFWJFMJG-AOIBKUJJSA-N.

Identity
Molecular formulaC30H46O4
Molecular weight470.7 g/mol
IUPAC name(4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
InChIKeyWCXZTKJFWJFMJG-AOIBKUJJSA-N
SMILESC[C@]12CCC(=O)[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

Computed by PubChem (NCBI)