Siamenoside I（CAS番号：126105-12-2）

Siamenoside I

基本情報

編集器で閲覧

CAS番号

126105-12-2

分子式

C54H92O24

分子量

1125.3 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

Powder

溶解度

Methanol; Water; DMSO

SMILES

編集器で閲覧

CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)O)C)C

InChI

InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1

InChIKey

XJIPREFALCDWRQ-UYQGGQRHSA-N

LogP

-3.2317999999999794

トポロジカル極性表面積

397.5200000000001 Å²

水素結合ドナー/アクセプター

16 / 24

複雑度

2030

安全情報

安全情報を表示

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

保管条件

-20℃

同義語と引用データ

英語

CHEBI:228908
UNII-L34LUJ2UPB
126105-12-2
L34LUJ2UPB
SHIKONIN(SH)
AS-56369
AKOS032945094
(3beta,9beta,10alpha,11alpha,24R)-3-(beta-D-Glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->6))-beta-D-glucopyranoside
Siamenoside-I
SiamenosideI
(3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-
HY-N0612
Siamenoside I
beta-D-Glucopyranoside, (3beta,9beta,10alpha,11alpha,24R)-3-(beta-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->6))-
SCHEMBL17920751
CS-6012
b-D-Glucopyranoside, (3b,9b,10a,11a,24R)-3-(b-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19...
b-D-Glucopyranoside, (3b,9b,10a,11a,24R)-3-(b-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-ylO-b-D-gluc
b-D-Glucopyranoside, (3b,9b,10a,11a,24R)-3-(b-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-ylO-b-D-glucopyranosyl-(1&reg
SIAMENOSIDE I(AS)
(3beta,9beta,10alpha,11alpha,24R)-3-(beta-D-Glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside
Momordica grosvenori(Luo Han Guo )