Jujuboside A（CAS番号：55466-04-1）

Jujuboside A

基本情報

編集器で閲覧

CAS番号

55466-04-1

分子式

C58H94O26

分子量

1207.3 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

融点

222-225 ºC

沸点

No data available

密度

1.50

引火点

No data available

屈折率

1.639

蒸気圧

No data available

SMILES

編集器で閲覧

CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O

InChI

InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,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-,50-,51-,52-,54-,55+,56-,57-,58-/m0/s1

InChIKey

KVKRFLVYJLIZFD-OQVAHBRNSA-N

LogP

-2.7181999999999933

トポロジカル極性表面積

393.9800000000001 Å²

水素結合ドナー/アクセプター

14 / 26

複雑度

2330

安全情報

安全情報を表示

危険性の表示

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

HY-N0659
PN3SW9GZ6X
C17831
55466-04-1
AKOS025311230
CS-7861
alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-
(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-alpha-L-arabinopyranoside
Jujuboside A
S9213
CCG-270655
CHEBI:177582
Jujuboside A, >=97% (HPLC)
Q-100636
EX-A8003C
DTXSID601317892
O-6-Deoxy-a-L-mannopyranosyl-(1(r)2)-O-[O-b-D-glucopyranosyl-(1(r)6)-O-[b-D-xylopyranosyl-(1(r)2)]-b-D-glucopyranosyl-(1(r)3)]-(3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl-a-L-arabinopyranoside
glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30
JUJUBOSIDE A(P) PrintBack
Jujuboside A
jujuboside C
Ziziphus jujuba Mill. Var
(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O0[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside
O-6-Deoxy-a-L-mannopyranosyl-(1(r)2)-O-[O-b-D-glucopyranosyl-(1(r)6)-O-[b-D-xylopyranosyl-(1(r)2)]-b-D-glucopyranosyl-(1(r)3)]-(3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl-a-L-arabinop
Ziziphi Spinosae Semen