CAS号:--- - (1'R,4aS,5R,5'S,6S,6'R,8'S,8aS,13'S,17'S,21'S,23'R,25'S,26'R,29'S,31'R,32'S,33'S,35'S,36'R)-26'-[2-[(2S,3S)-2-[(6aS,8S,10aS,10bR)-1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl]-3,4-dihydroxybutyl]furan-3-yl]-33'-hydroxy-5,25',32'-trimethylspiro[2,3,4,4a,5,8a-hexahydro-1H-naphthalene-6,12'-3,7,27,30-tetraoxaundecacyclo[21.12.1.01,6.05,21.06,15.08,13.08,35.017,21.025,31.029,31.032,36]hexatriaconta-10,14-diene]-4',28',34'-trione-科华智慧

1. 主信息

英文名:	(1'R,4aS,5R,5'S,6S,6'R,8'S,8aS,13'S,17'S,21'S,23'R,25'S,26'R,29'S,31'R,32'S,33'S,35'S,36'R)-26'-[2-[(2S,3S)-2-[(6aS,8S,10aS,10bR)-1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl]-3,4-dihydroxybutyl]furan-3-yl]-33'-hydroxy-5,25',32'-trimethylspiro[2,3,4,4a,5,8a-hexahydro-1H-naphthalene-6,12'-3,7,27,30-tetraoxaundecacyclo[21.12.1.01,6.05,21.06,15.08,13.08,35.017,21.025,31.029,31.032,36]hexatriaconta-10,14-diene]-4',28',34'-trione
中文名:	-
CAS编号:	-
化学分子式：	C₆₃H₇₈N₂O₁₁
化学分子量：	1039.3 g/mol
SMILES：	C[C@@H]1[C@H]2CCCC[C@H]2C=C[C@@]13C=CC[C@]45[C@H]3C=C6C[C@@H]7CCC[C@]78C[C@@H]9C[C@]1([C@@H](OC(=O)[C@@H]2[C@]1(O2)[C@]1([C@H]9[C@]2([C@@H]4C(=O)[C@H]1O)[C@]6([C@H]8C(=O)OC2)O5)C)C1=C(OC=C1)C[C@@H]([C@H]1CC[C@H]2[C@@H](C1)C=CN1[C@H]2CNC1)[C@@H](CO)O)C
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,4aS,5R,5'S,6S,6'R,8'S,8aS,13'S,17'S,21'S,23'R,25'S,26'R,29'S,31'R,32'S,33'S,35'S,36'R)-26'-[2-[(2S,3S)-2-[(6aS,8S,10aS,10bR)-1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl]-3,4-dihydroxybutyl]furan-3-yl]-33'-hydroxy-5,25',32'-trimethylspiro[2,3,4,4a,5,8a-hexahydro-1H-naphthalene-6,12'-3,7,27,30-tetraoxaundecacyclo[21.12.1.01,6.05,21.06,15.08,13.08,35.017,21.025,31.029,31.032,36]hexatriaconta-10,14-diene]-4',28',34'-trione

4.2 InChl

InChI=1S/C63H78N2O11/c1-32-39-10-5-4-8-33(39)13-19-58(32)17-7-18-61-46(58)24-38-23-37-9-6-16-59(37)27-36-26-56(2)52(41-15-21-72-45(41)25-42(44(67)29-66)34-11-12-40-35(22-34)14-20-65-31-64-28-43(40)65)74-55(71)53-63(56,75-53)57(3)48(36)60(49(61)47(68)51(57)69)30-73-54(70)50(59)62(38,60)76-61/h7,13-15,17,19-21,24,32-37,39-40,42-44,46,48-53,64,66-67,69H,4-6,8-12,16,18,22-23,25-31H2,1-3H3/t32-,33+,34+,35-,36+,37+,39-,40+,42+,43+,44-,46+,48+,49+,50+,51-,52+,53-,56+,57+,58+,59+,60-,61+,62+,63-/m1/s1

4.3 InChlKey

ILUKXPYYUYAHNM-NDBAKJICSA-N

4.4 Canonical SMILES

C[C@@H]1[C@H]2CCCC[C@H]2C=C[C@@]13C=CC[C@]45[C@H]3C=C6C[C@@H]7CCC[C@]78C[C@@H]9C[C@]1([C@@H](OC(=O)[C@@H]2[C@]1(O2)[C@]1([C@H]9[C@]2([C@@H]4C(=O)[C@H]1O)[C@]6([C@H]8C(=O)OC2)O5)C)C1=C(OC=C1)C[C@@H]([C@H]1CC[C@H]2[C@@H](C1)C=CN1[C@H]2CNC1)[C@@H](CO)O)C

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)

5.2 ¹H核磁共振谱(¹H NMR)

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