CAS号:--- - (1'R,2R,2'S,4aR,5'R,6S,7aR,23'S,24'R,27'R,28'Z,32'S,35'S,36'S,40'S,47'S)-27'-[(2R,3S,4R,5R)-1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-6,10'-diethyl-15'-methylspiro[1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-2,31'-14,22,25,26-tetraoxa-7,11,38-triazatridecacyclo[32.8.3.22,5.230,35.12,40.16,9.18,11.120,24.012,21.013,18.023,32.036,40.023,47]tripentaconta-3,6(51),8(50),9,12(21),13(18),15,19,28,30(48),33-undecaen-44-yne]-17',39'-dione-科华智慧

1. 主信息

英文名:	(1'R,2R,2'S,4aR,5'R,6S,7aR,23'S,24'R,27'R,28'Z,32'S,35'S,36'S,40'S,47'S)-27'-[(2R,3S,4R,5R)-1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-6,10'-diethyl-15'-methylspiro[1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-2,31'-14,22,25,26-tetraoxa-7,11,38-triazatridecacyclo[32.8.3.22,5.230,35.12,40.16,9.18,11.120,24.012,21.013,18.023,32.036,40.023,47]tripentaconta-3,6(51),8(50),9,12(21),13(18),15,19,28,30(48),33-undecaen-44-yne]-17',39'-dione
中文名:	-
CAS编号:	-
化学分子式：	C₇₄H₈₀N₄O₁₃
化学分子量：	1233.4 g/mol
SMILES：	CC[C@H]1C[C@H]2CC[C@]3([C@@H]4C=C5C#CC[C@H]6CC[C@]78C[C@@]69CC[C@H](C=C9)C6=CC9=C(N(C=C9N6)C6=C9C(=CC%10=C6OC(=CC%10=O)C)C[C@@H]6[C@]4(O9)[C@H]([C@@H]5[C@@H]7CNC8=O)C=C3/C=C\[C@@H](OO6)[C@@](CC3=C4C=C(C=CC4=C(C=C3)O)O)([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC)N[C@@H]2C1
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

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4. 国际命名与标识

4.1 IUPAC Name

(1'R,2R,2'S,4aR,5'R,6S,7aR,23'S,24'R,27'R,28'Z,32'S,35'S,36'S,40'S,47'S)-27'-[(2R,3S,4R,5R)-1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-6,10'-diethyl-15'-methylspiro[1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-2,31'-14,22,25,26-tetraoxa-7,11,38-triazatridecacyclo[32.8.3.22,5.230,35.12,40.16,9.18,11.120,24.012,21.013,18.023,32.036,40.023,47]tripentaconta-3,6(51),8(50),9,12(21),13(18),15,19,28,30(48),33-undecaen-44-yne]-17',39'-dione

4.2 InChl

InChI=1S/C74H80N4O13/c1-4-38-24-40-17-22-72(77-54(40)25-38)45-10-14-61(73(87,68(85)65(84)59(83)35-79)32-42-9-13-57(81)47-12-11-46(80)30-48(42)47)90-91-62-28-43-26-50-58(82)23-37(3)88-67(50)64-66(43)89-74(62)51(29-45)63-41(27-60(72)74)7-6-8-44-18-21-71(52(63)33-75-69(71)86)36-70(44)19-15-39(16-20-70)53-31-49-55(76-53)34-78(64)56(49)5-2/h9-15,19,23,26-27,29-31,34,38-40,44,51-52,54,59-63,65,68,76-77,79-81,83-85,87H,4-5,8,16-18,20-22,24-25,28,32-33,35-36H2,1-3H3,(H,75,86)/b14-10-/t38-,39-,40+,44-,51-,52-,54+,59+,60-,61+,62+,63+,65+,68-,70+,71-,72-,73-,74-/m0/s1

4.3 InChlKey

FYIZDLVMWDMBDV-KDIMVTSDSA-N

4.4 Canonical SMILES

CC[C@H]1C[C@H]2CC[C@]3([C@@H]4C=C5C#CC[C@H]6CC[C@]78C[C@@]69CC[C@H](C=C9)C6=CC9=C(N(C=C9N6)C6=C9C(=CC%10=C6OC(=CC%10=O)C)C[C@@H]6[C@]4(O9)[C@H]([C@@H]5[C@@H]7CNC8=O)C=C3/C=C\[C@@H](OO6)[C@@](CC3=C4C=C(C=CC4=C(C=C3)O)O)([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC)N[C@@H]2C1

4.5 lsomeric SMILES

4.6 SDF文件

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

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5.2 ¹H核磁共振谱(¹H NMR)

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5.3 质谱(MS)

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5.4 红外光谱(IR)

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5.5 紫外/可见光谱(UV/Vis)

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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