Tubeimoside III（CAS号：115810-13-4）

土贝母苷丙

基本信息

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CAS号

115810-13-4

分子式

C64H100O31

分子量

1365.5 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

SMILES

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CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5O)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O

InChI

InChI=1S/C64H100O31/c1-25-47-48(91-52-44(79)38(73)29(68)21-85-52)46(81)54(87-25)92-49-39(74)30(69)22-86-55(49)95-57(82)64-14-13-58(2,3)15-27(64)26-9-10-34-60(5)16-28(67)51(61(6,24-66)33(60)11-12-62(34,7)63(26,8)17-35(64)70)94-56-50(43(78)40(75)31(20-65)88-56)93-53-45(80)42(77)41(76)32(89-53)23-84-36(71)18-59(4,83)19-37(72)90-47/h9,25,27-35,38-56,65-70,73-81,83H,10-24H2,1-8H3

InChIKey

MTICHQXHYUJVDV-UHFFFAOYSA-N

LogP

-4.344699999999996

拓扑极性表面积

485.65000000000015 Å²

氢键供体/受体

16 / 31

复杂度

2800

安全信息

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储存条件

2-8℃

同义词与引用数据

英文

7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Tubeimoside III
FT-0775339
115810-13-4
Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol. ester, (2beta,3beta(S),4alpha,16alpha)-
(2beta,3beta(S),4alpha,16alpha)-28-(O-beta-D-Xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxyolean-12-en-28-oate
AKOS037514884
TubeiMosideIII
Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucopyranosyl]-b-D-glucopyranosyl]oxy]-2,16,23-trihydroxy-,28-(O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl) ester, intramol. 6''(3)®4''(28)-ester, (2b,3b,4a,16a)-
Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucop...
Tubeimoside C
Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-
TubeimosideⅢ
Tubeimoside III;
(1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,
CID 102004830