Chemical Compound
(1S,2R,19R,22S,37R,40R)-44-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(10-methylundecanamido)oxan-2-yl]oxy}-43,63,65-trichloro-2,26,31,47,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
Primary record
(1S,2R,19R,22S,37R,40R)-44-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(10-methylundecanamido)oxan-2-yl]oxy}-43,63,65-trichloro-2,26,31,47,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177548110
- SMILES
- CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)NC(C7=C(C(=CC(=C7)O)O)C8=C(C(=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)C9C1=CC(=CC(=C1)OC1=C(C=CC(=C1)[C@@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)NC)O)O)Cl)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O
- Canonical SMILES
- CN[C@@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1cc(Cl)c(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]2O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O
名称与同义词
- J2.862.455G
- (1S,2R,19R,22S,37R,40R)-44-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(10-methylundecanamido)oxan-2-yl]oxy}-43,63,65-trichloro-2,26,31,47,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
- 15-N-Methyl-22,31,45-trichloro-7,64-O-didemethyl-19-deoxy-56-O-[2-[(1-oxo-10-methylundecyl)amino]-2-deoxy-beta-D-glucopyranuronosyl]-44-O-(6-O-acetyl-alpha-D-mannopyranosyl)ristomycin A aglycone