产品名称 |
乌头多柔比星 |
英文名 |
Aconityldoxorubicin |
别名 |
(2Z)-2-[2-[[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]Amino]-2-Oxo-Ethylidene]Butanedioic Acid; (2Z)-2-[2-[[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]Amino]-2-Oxoethylidene]Butanedioic Acid; (2Z)-2-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Amino]-2-Keto-Ethylidene]Succinic Acid |
|
分子结构 |
|
分子式 |
C33H33NO16 |
分子量 |
699.62 |
CAS 登录号 |
114390-31-7 |
分子行输入简码 SMILES |
[C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](NC(=O)\C=C(C(=O)O)\CC(=O)O)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C4=CC=CC(=C4C5=O)OC |
国际化学标识码 InChI |
1S/C33H33NO16/c1-12-27(40)16(34-20(37)6-13(32(45)46)7-21(38)39)8-22(49-12)50-18-10-33(47,19(36)11-35)9-15-24(18)31(44)26-25(29(15)42)28(41)14-4-3-5-17(48-2)23(14)30(26)43/h3-6,12,16,18,22,27,35,40,42,44,47H,7-11H2,1-2H3,(H,34,37)(H,38,39)(H,45,46)/b13-6-/t12-,16-,18-,22-,27+,33-/m0/s1 |
国际化学标识检索码 InChIKey |
XULUYSQCLZAMJZ-DZMFYADZSA-N |
|