(1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-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~]hexaco sa-7,9,11-trien-19-yl benzoate（CAS番号：11088-09-8）

(1R,3S,15R,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-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~]hexaco sa-7,9,11-trien-19-yl benzoate

基本情報

編集器で閲覧

CAS番号

11088-09-8

分子式

C43H49NO18

分子量

867.85 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

Powder

融点

158-163 ºC

溶解度

Acetontrile,DMSO,Methanol

SMILES

編集器で閲覧

CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

InChI

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/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m1/s1

InChIKey

ZOCKGJZEUVPPPI-NCHBRQRASA-N

LogP

2.1565000000000025

トポロジカル極性表面積

252.74999999999994 Å²

水素結合ドナー/アクセプター

1 / 19

複雑度

1800

安全情報

安全情報を表示

保管条件

2-8℃

同義語と引用データ

英語

Wilforine
ZOCKGJZEUVPPPI-UHFFFAOYSA-N
CS-3765
BCP26009
11088-09-8
NS00067863
AC-34427
MS-31603
1ST40321
S0921
[20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-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
26-Deoxywilfordine
DTXSID201019937
HY-N0899
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
(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)-
26-Deoxywilfordine,Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)