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孕烷-8,12,14,17,20-戊醇,3-[(O-6-脱氧-3-O-甲基-b-D-别吡喃基-(1,4)-O-2,6-二脱氧-3-O-甲基-b-D-阿拉伯基-己糖基-(1,4)-2,6-二脱氧-3-O-甲基-b-D-核糖-己糖基)氧基],12-苯甲酸酯,(3b,5a,12b,14b,17a,20S)-(9CI) | 139953-35-8

孕烷-8,12,14,17,20-戊醇,3-[(O-6-脱氧-3-O-甲基-b-D-别吡喃基-(1,4)-O-2,6-二脱氧-3-O-甲基-b-D-阿拉伯基-己糖基-(1,4)-2,6-二脱氧-3-O-甲基-b-D-核糖-己糖基)氧基],12-苯甲酸酯,(3b,5a,12b,14b,17a,20S)-(9CI)结构式图片|139953-35-8结构式图片
孕烷-8,12,14,17,20-戊醇,3-[(O-6-脱氧-3-O-甲基-b-D-别吡喃基-(1,4)-O-2,6-二脱氧-3-O-甲基-b-D-阿拉伯基-己糖基-(1,4)-2,6-二脱氧-3-O-甲基-b-D-核糖-己糖基)氧基],12-苯甲酸酯,(3b,5a,12b,14b,17a,20S)-(9CI)
Pregnane-8,12,14,17,20-pentol,3-[(O-6-deoxy-3-O-methyl-b-D-allopyranosyl-(1®4)-O-2,6-dideoxy-3-O-methyl-b-D-arabino-hexopyranosyl-(1®4)-2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-, 12-benzoate, (3b,5a,12b,14b,17a,20S)- (9CI)
139953-35-8
C49H76O17
937.117540000001
3083306
名称和标识符
InChIKey OVOSPCKCJQHZPN-UHFFFAOYSA-N
Inchi InChI=1S/C49H76O17/c1-25-38(51)42(59-9)39(52)44(62-25)66-41-27(3)61-37(23-33(41)58-8)65-40-26(2)60-36(22-32(40)57-7)63-31-16-17-45(5)30(21-31)15-18-48(55)34(45)24-35(64-43(53)29-13-11-10-12-14-29)46(6)47(54,28(4)50)19-20-49(46,48)56/h10-14,25-28,30-42,44,50-52,54-56H,15-24H2,1-9H3
SMILES C(OC1CC2C(O)(CCC3C2(C)CCC(OC2CC(OC)C(OC4CC(OC)C(OC5C(O)C(OC)C(O)C(C)O5)C(C)O4)C(C)O2)C3)C2(O)C1(C)C(O)(C(O)C)CC2)(=O)C1=CC=CC=C1
别名信息
- 中文别名 -
- 英文别名 -
  • [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,1
  • 3-{[6-deoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-8,14,17,20-tetrahydroxypregnan-12-yl benzoate
  • 4)-2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-, 12-benzoate, (3b,5a,12b,14b,17a,20S)- (9CI)
  • 4)-O-2,6-dideoxy-3-O-methyl-b-D-arabino-hexopyranosyl-(1&reg
  • marsdekoiside B
  • Marsdekoiside B
  • 12-O-Benzoyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyrano syl(1-4)-O-beta-D-oleandropyr
  • 12-O-Benzoyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl(1-4)-O-beta-D-oleandropyranosyl(1-4)-O-beta-D-cymaropyranoside
  • 139953-35-8
  • 3-{[6-Deoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-8,14,17,20-tetrahydroxypregnan-12-yl benzoate
  • [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
  • Pregnane-8,12,14,17,20-pentol, 3-((O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-, 12-benzoate, (3beta,5alpha,12beta,14beta,17alpha,20S)-
  • DTXSID20930673
物化性质
实验特性
折射率 1.589
沸点 935.8°C at 760 mmHg
闪点 262.2°C
密度 1.32
计算特性
精确分子量 936.508
氢键供体数量 6
氢键受体数量 17
可旋转化学键数量 13
同位素质量 936.508
重原子数量 66
复杂度 1670
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 23
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.6
互变异构体数量
表面电荷 0
拓扑分子极性表面积 231Ų
专业数据库参考
PubChemId 3083306
化合物详情(旧版)

SMILES

COC1C(OC2CC(OC)C(OC3C(O)C(OC)C(O)C(C)O3)C(C)O2)C(C)OC(C1)OC4CC5C(CC4)(C)C6C(CC5)(O)C7(O)C(C(OC(=O)C8=CC=CC=C8)C6)(C)C(C(C)O)(O)CC7

960化工网为您提供孕烷-8,12,14,17,20-戊醇,3-[(O-6-脱氧-3-O-甲基-b-D-别吡喃基-(1,4)-O-2,6-二脱氧-3-O-甲基-b-D-阿拉伯基-己糖基-(1,4)-2,6-二脱氧-3-O-甲基-b-D-核糖-己糖基)氧基],12-苯甲酸酯,(3b,5a,12b,14b,17a,20S)-(9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:139953-35-8,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:139953-35-8
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