(3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside（CAS号：145075-81-6）

OSW 1

基本信息

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CAS号

145075-81-6

分子式

C47H68O15

分子量

873.05 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酮类

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

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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COc1ccc(cc1)C(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)O[C@H]1[C@@H](O)CO[C@H]([C@@H]1OC(=O)C)O[C@H]1C[C@@H]2[C@]([C@@]1(O)[C@@H](C(=O)CCC(C)C)C)(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O

InChI

InChI=1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29+,31-,32+,33+,35-,36+,37+,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1

InChIKey

MPXTYZZFIJTPPA-MKQTXCTDSA-N

LogP

4.024100000000004

拓扑极性表面积

216.96999999999997 Å²

氢键供体/受体

5 / 15

同义词与引用数据

英文

Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabinopyranosyl]oxy]-3,17-dihydroxy-, (3b,16b)-
Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabino...
Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabinopyranosyl]oxy]-3,17-dihydroxy-,
ORSAPONIN
osw-1
3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-(2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl)-(1-3)-(2-O-acetyl-α-arabinopyranoside)
3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-β-D-xylopyranosyl)-(1->3)-(2-O-acetyl-α-L-arabinopyranoside)
3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-{O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-(1->3)-2-O-acetyl-β-L-arabinopyranoside}
16beta-[2-O-Acetyl-3-O-[2-O-(4-Methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyloxy]-3b
(3β,16β)-16-[[2-O-Acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3,17-dihydroxycholest-5-en-22-one
16beta-[2-O-Acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyloxy]-3beta,17alpha-dihydroxycholest-5-en-22-one
OSW-1