(3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide（CAS番号：17598-65-1）

(3β,5β,12β)-3-{[β-D-グルコポリソシド-(1->4)-2,6-デデオキシーβ-D-リノヒロソシド-(1->4)-2,6-デデオキシーβ-D-リノヒロソシド-(1->4)-2,6-デデオキシーβ-D-リノヒロソシド]オキシ}-12,14-デヒドロキシカード-20(22)-エンロイルデイド

基本情報

編集器で閲覧

CAS番号

17598-65-1

分子式

C47H74O19

分子量

943.09 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

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

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

融点

220-235°C

沸点

732.1°C (rough estimate)

溶解度

Methanol; DMSO

屈折率

1.6500 (estimate)

比旋光度

D20 +12° (c = 1.084 in 75% alc)

SMILES

編集器で閲覧

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O

InChI

InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1

InChIKey

OBATZBGFDSVCJD-LALPQLPRSA-N

LogP

0.04230000000000744

トポロジカル極性表面積

282.21 Å²

水素結合ドナー/アクセプター

9 / 19

複雑度

1760

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

Desacetyl Lanatoside
UNII-YGY317RK75
(3beta,5beta,12beta)-3-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
Deslanoside (JP17/USP/INN)
BRN 0078187
Deslanosido [INN-Spanish]
DB01078
Deacetylanatoside C
3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolid
NCGC00159441-02
DESLANOSIDE [INN]
Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
DESLANOSIDE [VANDF]
3beta-(beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide
EN300-23839400
Lanatoside, Desacetyl
4-18-00-02455 (Beilstein Handbook Reference)
3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide
Cedilanid-D
3beta-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide
DESLANOSIDE [MART.]
glucodigoxin
HY-A0154
NCGC00159441-03
Deslanosidum [INN-Latin]
DESLANOSIDE (USP-RS)
OBATZBGFDSVCJD-LALPQLPRSA-N
Desace
Deslanosidum (INN-Latin)
SCHEMBL125311
Deslanosido