雷公藤次碱 | 11088-09-8

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中文名称：雷公藤次碱
英文名称：Wilforine
CAS No.：11088-09-8 分子式：C₄₃H₄₉NO₁₈ 分子量：867.8451
植物源：雷公藤
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：雷公藤次碱结构式
价格行情：雷公藤次碱价格
国内供应商 56 家

雷公藤次碱的其他展现形式

相关化合物

右旋异紫堇定,卫矛碱 Euonymin CAS No.：33458-82-1

雷公藤定碱 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-18,21-dihydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)- CAS No.：37239-51-3

厄沃宁 evonine CAS No.：33458-64-9

冬青卫矛碱 D Euojaponin D CAS No.：128397-42-2

cangoronine CAS No.：138884-84-1

Evozine CAS No.：35721-62-1

名称和标识符

Inchi	1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3
InChIKey	ZOCKGJZEUVPPPI-UHFFFAOYSA-N
SMILES	O1C2(C([H])([H])[H])C([H])([H])OC(C3C([H])=C([H])C([H])=NC=3C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C(=O)OC3([H])C([H])(C([H])(C4(C([H])([H])OC(C([H])([H])[H])=O)C([H])(C([H])(C2([H])C([H])(C14C3(C([H])([H])[H])O[H])OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)=O
BRN	0078156

别名信息

- 中文别名 -

雷公藤次碱 ★雷公藤次碱雷公藤次碱,wilforine,植物提取物,标准品,对照品雷公藤次碱对照品雷公藤次碱(标准品) WILFORINE 雷公藤次碱

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- 英文别名 -

8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)- 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)... WILFORINE 26-Deoxywilfordine (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione [ "" ] (8α)-8-(Acetyloxy)-2-O-benzoyl-2-O-deacetyl-8-deoxoevonimine Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)- (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-m 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,1 [(1S,3R,15S,18S,19R,20R,21R,22S,23R,25R,26S)-20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-26-hydr Evonimine, 8-(acetyloxy)-O(sup 2)-benzoyl-O(sup 2)-deacetyl-8-deoxo-, (8-alpha)- ZOCKGJZEUVPPPI-UHFFFAOYSA-N BCP26009

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物化性质

计算特性

精确分子量	867.29500
同位素质量	867.29496371 g/mol
同位素原子数量	0
氢键供体数量	1
氢键受体数量	19
重原子数量	62
可旋转化学键数量	14
复杂度	1800
共价键单元数量	1
确定原子立构中心数量	11
不确定原子立构中心数量	1
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
疏水参数计算参考值（XlogP）	2.2
拓扑分子极性表面积	253
分子量	867.8

实验特性

颜色与性状	Powder
密度	1.41
熔点	158-163 ºC
PSA	252.75000
LogP	2.15650

安全信息纠错

储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month

化合物详情（旧版）

SMILES

CC(=O)OC[C@]12[C@@]34C(O)(C)[C@@H](OC(=O)[C@@H](C)CCC5=C(C=CC=N5)C(=O)OC[C@@](O4)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(=O)C6=CC=CC=C6)[C@@H]1OC(C)=O

扩展阅读

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