Chemical Compound

3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid [12-amino-15-chloro-4,5-didehydro-18a-[[4,6-dideoxy-4-(dimethylamino)-5-C-methyl-beta-D-ribo-hexopyranosyl]oxy]-6,7,10,11,18,18a-hexahydro-19-hydroxy-10-oxo-13,16-etheno-18,6-(1-propyne-1-yl-3-ylidene)-8H,12H-9,17-dioxacyclopentacycloheptadecene]-7-yl ester

3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid [12-amino-15-chloro-4,5-didehydro-18a-[[4,6-dideoxy-4-(dimethylamino)-5-C-methyl-beta-D-ribo-hexopyranosyl]oxy]-6,7,10,11,18,18a-hexahydro-19-hydroxy-10-oxo-13,16-etheno-18,6-(1-propyne-1-yl-3-ylidene)-8H,12H-9,17-dioxacyclopentacycloheptadecene]-7-yl ester 结构式
Primary record

3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid [12-amino-15-chloro-4,5-didehydro-18a-[[4,6-dideoxy-4-(dimethylamino)-5-C-methyl-beta-D-ribo-hexopyranosyl]oxy]-6,7,10,11,18,18a-hexahydro-19-hydroxy-10-oxo-13,16-etheno-18,6-(1-propyne-1-yl-3-ylidene)-8H,12H-9,17-dioxacyclopentacycloheptadecene]-7-yl ester

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101917046
SMILES
CC1([C@H]([C@H]([C@H]([C@@H](O1)OC23C=CC=C2C#C/C/4=C\C#CC3OC5=C(C=C(C=C5Cl)C(CC(=O)OCC4OC(=O)C6=C7C(=CC(=C6)OC)OC(=C)C(=O)N7)N)O)O)O)N(C)C)C
Canonical SMILES
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#C/C=C/3C#CC3=CC=CC34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O

名称与同义词

  • J643.566A
  • 3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid [12-amino-15-chloro-4,5-didehydro-18a-[[4,6-dideoxy-4-(dimethylamino)-5-C-methyl-beta-D-ribo-hexopyranosyl]oxy]-6,7,10,11,18,18a-hexahydro-19-hydroxy-10-oxo-13,16-etheno-18,6-(1-propyne-1-yl-3-ylidene)-8H,12H-9,17-dioxacyclopentacycloheptadecene]-7-yl ester
  • 3-[4-[[9-[[4,6-Dideoxy-5-C-methyl-4-(dimethylamino)-beta-D-allo-hexopyranosyl]oxy]-4-[1-[[(2-methylene-7-methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-5-yl)carbonyl]oxy]-2-hydroxyethyl]bicyclo[7.3.0]dodeca-1(12),4,10-triene-2,6-diyne-8-yl]oxy]-3-hydroxy-5-chlorophenyl]-3-aminopropionic acid xi-lactone
  • 7-amino-25-chloro-20-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate