Methyl protodioscin（CAS番号：54522-52-0）

Methyl protodioscin

基本情報

編集器で閲覧

CAS番号

54522-52-0

分子式

C52H86O22

分子量

1063.2 g/mol

化学分類

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

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

物理状態

White powder

密度

1.43

溶解度

Methanol

SMILES

編集器で閲覧

CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC

InChI

InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1

InChIKey

HSSJYSJXBOCKQM-GVTGEURHSA-N

LogP

-1.3255999999999852

トポロジカル極性表面積

335.06 Å²

水素結合ドナー/アクセプター

12 / 22

複雑度

1920

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

22-METHOXYLPROTODIOSCIN
(3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE
S9300
CS-3910
C17468
CCRIS 4125
CHEMBL453625
HY-N0863
EX-A3795
DTXSID301031695
1VJB6VV6IA
UNII-1VJB6VV6IA
Q27155066
54522-52-0
Methylprotodioscin
3.BETA.,26-DIHYDROXY-22.ALPHA.-METHOXYFUROST-5-ENE 3-O-.BETA.-CHACOTRIOSIDE 26-O-.BETA.-D-GLUCOPYRANOSIDE
CHEBI:81110
MS-31916
beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
CCG-270624
Methyl protodioscin
NSC-698790
22-O-METHYLPROTODIOSCIN
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
[(22R,25R)-22-Methoxy-26-(β-D-glucopyranosyloxy)furosta-5-ene-3β-yl]2-O,4-O-di-α-L-rhamnopyranosyl-β-D-glucopyranoside
[(25R)-26-(β-D-Glucopyranosyloxy)-22α-methoxyfurost-5-en-3β-yl]2-O,4-O-bis(α-L-rhamnopyranosyl)-β-D-glucopyranoside
3b,26-Dihydroxy-22a-methoxyfurost-5-ene 3-O-beta-chacotrioside 26-O-beta-D-glucopyranoside
Smilax saponin B
Methylprotodioscin(SMilax saponin B)
methyl protoneodioscin
(3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-