(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate（CAS号：143-57-7）

黎芦碱(剧毒)

基本信息

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CAS号

143-57-7

分子式

C41H63NO14

分子量

793.95 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

熔点

270-271 ºC (dec.)

沸点

747.91°C (rough estimate)

溶解度

Insuluble (2.9E-3 g/L) (25 ºC),

折射率

1.6220 (estimate)

比旋光度

D25 -40.5° (pyridine); D25 -10.5° (chloroform)

SMILES

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CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O

InChI

InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1

InChIKey

HYTGGNIMZXFORS-MGYKWWNKSA-N

LogP

1.6072000000000033

拓扑极性表面积

218.81999999999996 Å²

氢键供体/受体

5 / 15

复杂度

1630

安全信息

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危险类别

Class 6.1(a) Class 6.1(a)

毒性

LD50 s.c. in male mice: 0.29 mg/kg (Tanaka)

同义词与引用数据

英文

Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-
Puroverine
NSC 7526
4-21-00-06845 (Beilstein Handbook Reference)
UNII-XP343X1HJU
Protofecaterine A
Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3.beta.(S),4.alpha.,6.alpha.,7.alpha.,15.alpha.(R),16.beta.)-
Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)- (9CI)
Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-
DTXSID301009391
NSC-23865
Proveratrine A
NSC 23865
bmse000853
Cevane-3.beta.,6.alpha.,7.alpha.,14,15.alpha.,16.beta.,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-,6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate],(3b,4a,6a,7a,15a,16b)-
(3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2-hydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
143-57-7
NSC-7526
PROTOVERATRINE A [MI]
(3.BETA.(S),4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-4,9-EPOXYCEVANE-3,4,6,7,14,15,16,20-OCTOL 6,7-DIACETATE 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE)
Protalba
Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
NS00008506
PROTOVERATRINE A [WHO-DD]
protoveratrine A
MFCD00135586
[diacetoxy-tetrahydroxy-trimethyl-[(2R)-2-methylbutanoyl]oxy-[?]yl] (2S)-2-hydroxy-2-methyl-butanoate
CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
PROTOVERINE 3-((+)-(2S)-2-HYDROXY-2-METHYLBUTYRATE) 6,7-DIACETATE 15-((-)-(2R)-2-METHYLBUTYRATE)
Protoveratrine

中文

原藜芦碱
原藜芦碱A
黎芦碱(剧毒)

MDL号

MFCD00135586

常见问题

黎芦碱(剧毒)(CAS号：143-57-7)适用哪些法规指南？

黎芦碱(剧毒)需要遵循《全球化学品统一分类和标签制度》(GHS)的分类和标签要求，包括毒性、易燃性等。此外，它还受到欧盟《化学品注册、评估、授权和限制》(REACH)法规的管控，特别是关于物质和混合物的分类、标签和安全数据表(SDS)的要求。在美国，黎芦碱(剧毒)受美国环境保护署(EPA)和食品药品监督管理局(FDA)的监管，包括危险废物管理和化学品使用规定。