Products 18004-20-1

CAS 18004-20-1 is the registry number for Ketohakonanol. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.

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

(4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one (CAS 18004-20-1) is a chemical compound with the molecular formula C29H48O2 and a molecular weight of 428.7 g/mol. IUPAC name: (4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one. InChIKey: WQSYKNUUKPIYHA-DDEAWHBVSA-N.

Identity
Molecular formulaC29H48O2
Molecular weight428.7 g/mol
IUPAC name(4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one
InChIKeyWQSYKNUUKPIYHA-DDEAWHBVSA-N
SMILESC[C@]12CCC(=O)[C@@]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)(C)O

Computed by PubChem (NCBI)