Products 2259732-60-8

CAS 2259732-60-8 is the registry number for Antibacterial agent 115. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(2S,4aS,6aR,6aS,6bR,8aR,11Z,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-11-(pyrazin-2-ylmethylidene)-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-2-carboxylic acid (CAS 2259732-60-8) is a chemical compound with the molecular formula C35H48N2O3 and a molecular weight of 544.8 g/mol. IUPAC name: (2S,4aS,6aR,6aS,6bR,8aR,11Z,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-11-(pyrazin-2-ylmethylidene)-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-2-carboxylic acid. InChIKey: NQQANRNOEBAHLC-DAKIQFBOSA-N.

Identity
Molecular formulaC35H48N2O3
Molecular weight544.8 g/mol
IUPAC name(2S,4aS,6aR,6aS,6bR,8aR,11Z,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-11-(pyrazin-2-ylmethylidene)-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-2-carboxylic acid
InChIKeyNQQANRNOEBAHLC-DAKIQFBOSA-N
SMILESC[C@]12CC[C@](C[C@H]1C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C/C(=C/C6=NC=CN=C6)/C(=O)C5(C)C)C)C)(C)C(=O)O

Computed by PubChem (NCBI)