(1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]h exacosa-7,9,11-trien-19-yl benzoate（CAS号：37239-51-3）

雷公藤定碱

基本信息

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CAS号

37239-51-3

分子式

C43H49NO19

分子量

883.85 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

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

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

沸点

895.5°Cat760mmHg

密度

1.44

闪点

495.4°C

溶解度

N/A

折射率

1.597

SMILES

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CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OCC3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39-,40+,41+,42-,43+/m0/s1

InChIKey

XQDBHSNYTFRCNJ-IFRYCGPYSA-N

LogP

1.2714000000000036

拓扑极性表面积

272.97999999999996 Å²

氢键供体/受体

2 / 20

复杂度

1850

安全信息

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储存条件

2-8℃

同义词与引用数据

英文

Wtlfordine
[20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
NS00067908
37239-51-3
AKOS040760753
BCP13065
1ST159326
Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8.alpha.)-
XQDBHSNYTFRCNJ-UHFFFAOYSA-N
Wilfordine
FT-0698332
CID 540150
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)-
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)...
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(ace
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-d
WILFORDIN
(8R,9R,10R,11S,12S,13R,14R,15S,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-18,21-dihydroxy-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
[(1S,3S,18S,19R,20R,21R,22S,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,1
Wilfordin,Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8α)-