CAS号:125317-39-7-酒石酸长春瑞滨 - 5'-Noranhydrovinoblastine tartrate-科华智慧

1. 主信息

英文名:	5'-Noranhydrovinoblastine tartrate
中文名:	酒石酸长春瑞滨
CAS编号:	125317-39-7
化学分子式：	C₅₃H₆₆N₄O₂₀
化学分子量：	1079.1 g/mol
SMILES：	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
来源：	-
结构类型：	-
其它名称或标识：	5' Nor anhydrovinblastine 5'-nor-anhydrovinblastine KW 2307 KW-2307 KW2307

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	400	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

补充中

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

4.2 InChl

InChI=1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t28-,37+,38-,39-,42-,43-,44+,45+;2*1-,2-/m111/s1

4.3 InChlKey

CILBMBUYJCWATM-LNLXBTRNSA-N

4.4 Canonical SMILES

CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

4.5 lsomeric SMILES

CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 77 83 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -1.6396 -2.46328 0 0
M  V30 2 C -0.667228 -2.69673 0 0
M  V30 3 C 0.0211266 -1.97135 0 0
M  V30 4 C -0.270697 -1.20255 0 0
M  V30 5 C 0.148433 -0.495046 0 0
M  V30 6 C 0.5068 0.438535 0 0
M  V30 7 C 1.42035 0.845271 0 0
M  V30 8 C 2.35393 0.486903 0 0
M  V30 9 C 2.76066 -0.426642 0 0
M  V30 10 C 2.4023 -1.36022 0 0
M  V30 11 N 1.48875 -1.76696 0 0
M  V30 12 C 0.555169 -1.40859 0 0
M  V30 13 C 0.804154 -2.22254 0 0
M  V30 14 C 3.75518 -0.322114 0 0
M  V30 15 C 4.49833 -0.991244 0 0
M  V30 16 C 5.44939 -0.682227 0 0
M  V30 17 C 5.6573 0.29592 0 0
M  V30 18 C 4.91415 0.965051 0 0
M  V30 19 C 3.9631 0.656034 0 0
M  V30 20 N 3.09707 1.15603 0 0
M  V30 21 C 0.897847 1.69791 0 0
M  V30 22 C 1.37501 2.57673 0 0
M  V30 23 C 0.852508 3.42937 0 0
M  V30 24 C -0.14715 3.40319 0 0
M  V30 25 C -0.624309 2.52437 0 0
M  V30 26 C -0.10181 1.67173 0 0
M  V30 27 C -1.60756 2.70661 0 0
M  V30 28 C -0.783437 2.1402 0 0
M  V30 29 C -1.06745 1.18138 0 0
M  V30 30 N -2.06711 1.15521 0 0
M  V30 31 C -2.40092 2.09785 0 0
M  V30 32 C -3.3248 2.48053 0 0
M  V30 33 C -3.77528 1.80359 0 0
M  V30 34 C -3.52691 1.02933 0 0
M  V30 35 C -2.7667 0.740766 0 0
M  V30 36 C -3.45532 3.47198 0 0
M  V30 37 C -2.66197 4.08074 0 0
M  V30 38 C -1.73809 3.69806 0 0
M  V30 39 N -0.835504 4.12857 0 0
M  V30 40 C -0.653269 5.11182 0 0
M  V30 41 C -3.27073 4.87409 0 0
M  V30 42 O -4.26218 4.74357 0 0
M  V30 43 O -2.88805 5.79797 0 0
M  V30 44 C -3.49681 6.59132 0 0
M  V30 45 O -2.27929 5.00462 0 0
M  V30 46 O -4.3792 3.85466 0 0
M  V30 47 C -4.50973 4.84611 0 0
M  V30 48 O -5.43361 5.22879 0 0
M  V30 49 C -3.71637 5.45487 0 0
M  V30 50 C -4.30559 2.67556 0 0
M  V30 51 C -4.6271 3.62247 0 0
M  V30 52 O 6.71013 -4.92973 0 0
M  V30 53 C 5.7277 -4.92973 0 0
M  V30 54 C 1.8975 1.72409 0 0
M  V30 55 O 1.37501 2.57673 0 0
M  V30 56 O 2.89716 1.75027 0 0
M  V30 57 C 3.37432 2.62908 0 0
M  V30 58 C 8.28014 -1.47365 0 0
M  V30 59 C 7.42932 -1.96486 0 0
M  V30 60 C 6.57851 -1.47365 0 0
M  V30 61 O 6.57851 -0.491216 0 0
M  V30 62 O 5.7277 -1.96486 0 0
M  V30 63 O 7.42932 -2.9473 0 0
M  V30 64 C 9.13095 -1.96486 0 0
M  V30 65 O 9.13095 -2.9473 0 0
M  V30 66 O 9.98176 -1.47365 0 0
M  V30 67 O 8.28014 -0.491216 0 0
M  V30 68 C 3.04365 -1.47365 0 0
M  V30 69 C 2.19284 -1.96486 0 0
M  V30 70 C 1.34203 -1.47365 0 0
M  V30 71 O 1.34203 -0.491216 0 0
M  V30 72 O 0.491216 -1.96486 0 0
M  V30 73 O 2.19284 -2.9473 0 0
M  V30 74 C 3.89446 -1.96486 0 0
M  V30 75 O 3.89446 -2.9473 0 0
M  V30 76 O 4.74527 -1.47365 0 0
M  V30 77 O 3.04365 -0.491216 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 13
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 5 12
M  V30 7 1 5 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 7 21
M  V30 11 1 7 54
M  V30 12 1 8 20
M  V30 13 2 8 9
M  V30 14 1 9 10
M  V30 15 1 9 14
M  V30 16 1 10 11
M  V30 17 1 11 12
M  V30 18 1 11 13
M  V30 19 1 14 19
M  V30 20 2 14 15
M  V30 21 1 15 16
M  V30 22 2 16 17
M  V30 23 1 17 18
M  V30 24 2 18 19
M  V30 25 1 19 20
M  V30 26 1 21 26
M  V30 27 2 21 22
M  V30 28 1 22 23
M  V30 29 1 22 52
M  V30 30 2 23 24
M  V30 31 1 24 39
M  V30 32 1 24 25
M  V30 33 2 25 26
M  V30 34 1 25 27
M  V30 35 1 27 31
M  V30 36 1 27 38
M  V30 37 1 27 28
M  V30 38 1 28 29
M  V30 39 1 29 30
M  V30 40 1 30 35
M  V30 41 1 30 31
M  V30 42 1 31 32
M  V30 43 1 32 33
M  V30 44 1 32 36
M  V30 45 1 32 50
M  V30 46 2 33 34
M  V30 47 1 34 35
M  V30 48 1 36 37
M  V30 49 1 36 46
M  V30 50 1 37 38
M  V30 51 1 37 41
M  V30 52 1 37 45
M  V30 53 1 38 39
M  V30 54 1 39 40
M  V30 55 2 41 42
M  V30 56 1 41 43
M  V30 57 1 43 44
M  V30 58 1 46 47
M  V30 59 2 47 48
M  V30 60 1 47 49
M  V30 61 1 50 51
M  V30 62 1 52 53
M  V30 63 2 54 55
M  V30 64 1 54 56
M  V30 65 1 56 57
M  V30 66 1 58 59
M  V30 67 1 58 64
M  V30 68 1 58 67
M  V30 69 1 59 60
M  V30 70 1 59 63
M  V30 71 2 60 61
M  V30 72 1 60 62
M  V30 73 2 64 65
M  V30 74 1 64 66
M  V30 75 1 68 69
M  V30 76 1 68 74
M  V30 77 1 68 77
M  V30 78 1 69 70
M  V30 79 1 69 73
M  V30 80 2 70 71
M  V30 81 1 70 72
M  V30 82 2 74 75
M  V30 83 1 74 76
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型