Products 12699-00-2
CAS 12699-00-2 is the registry number for Trichomycin B. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1R,3S,5S,7R,17R,18S,19E,21E,23E,25E,27E,29E,31E,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S,5S)-7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid (CAS 12699-00-2) is a chemical compound with the molecular formula C58H84N2O18 and a molecular weight of 1097.3 g/mol. IUPAC name: (1R,3S,5S,7R,17R,18S,19E,21E,23E,25E,27E,29E,31E,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S,5S)-7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid. InChIKey: LWTOHQGGAJCWFV-DWWLNLDRSA-N.
| Molecular formula | C58H84N2O18 |
|---|---|
| Molecular weight | 1097.3 g/mol |
| IUPAC name | (1R,3S,5S,7R,17R,18S,19E,21E,23E,25E,27E,29E,31E,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2S,5S)-7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,37-hexahydroxy-18-methyl-13,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
| InChIKey | LWTOHQGGAJCWFV-DWWLNLDRSA-N |
| SMILES | C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](C[C@@H](CC(CCCC(=O)CC(=O)O[C@@H]1[C@@H](C)CC[C@@H](CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O |
Computed by PubChem (NCBI)
Synonyms:
Trichomycin B