Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-22,25-epoxy-12,17,20-trihydroxy-, gamma-lactone, monosodium salt, (3-beta,12-alpha,22S)-
Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-22,25-epoxy-12,17,20-trihydroxy-, gamma-lactone, monosodium salt, (3-beta,12-alpha,22S)- · CAS 11052-32-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-22,25-epoxy-12,17,20-trihydroxy-, gamma-lactone, monosodium salt, (3-beta,12-alpha,22S)-
- CAS
- 11052-32-7
- CID
- 23674754
- IUPAC 名称
- sodium [(3R,4R,5R,6S)-6-[[(5R,6R,10S,13S,16S)-6-[(2S)-5,5-dimethyloxolan-2-yl]-5,10-dihydroxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] sulfate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-22,25-epoxy-12,17,20-trihydroxy-, gamma-lactone, monosodium salt, (3-beta,12-alpha,22S)-
- CAS
- 11052-32-7
- CID
- 23674754
- IUPAC 名称
- sodium [(3R,4R,5R,6S)-6-[[(5R,6R,10S,13S,16S)-6-[(2S)-5,5-dimethyloxolan-2-yl]-5,10-dihydroxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] sulfate
分子属性
- 分子式
- C41H63NaO17S
- 分子量
- 883 g/mol
- 精确质量
- 882.36836599 Da
- 单同位素质量
- 882.36836599 Da
- XLogP
- 暂无
- 极性表面积
- 269 Ų
- 氢键供体
- 6
- 氢键受体
- 17
- 可旋转键
- 7
- 重原子数
- 60
- 净电荷
- 0
- 结构复杂度
- 1820
结构标识
- InChIKey
- XPKZSKANINADOD-ZSNWYRGCSA-M
- SMILES
- C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@]4(C(C3(C)C)CCC5C4=C[C@@H](C67C5(CC[C@@]6([C@@](OC7=O)(C)[C@@H]8CCC(O8)(C)C)O)C)O)C)OS(=O)(=O)[O-])O)O)O)O.[Na+]
- InChI
- InChI=1S/C41H64O17S.Na/c1-19-27(43)29(45)30(46)32(53-19)55-31-28(44)22(58-59(49,50)51)18-52-33(31)54-25-12-14-37(6)21-17-24(42)41-34(47)57-39(8,26-11-13-35(2,3)56-26)40(41,48)16-15-38(41,7)20(21)9-10-23(37)36(25,4)5;/h17,19-20,22-33,42-46,48H,9-16,18H2,1-8H3,(H,49,50,51);/q;+1/p-1/t19-,20?,22-,23?,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,37-,38?,39-,40+,41?;/m1./s1