134886-64-9 (b-D-吡喃葡萄糖苷,(3b,9b,10a,22S,23R,24R)-22,23,24,25-四羟基-9-甲基-19-诺糖-5-烯-3-基,b-D-Glucopyranoside, (3b,9b,10a,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl)

CAS号:
134886-64-9
中文名称:
b-D-吡喃葡萄糖苷,(3b,9b,10a,22S,23R,24R)-22,23,24,25-四羟基-9-甲基-19-诺糖-5-烯-3-基
英文名称:
b-D-Glucopyranoside, (3b,9b,10a,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl
分子式:
C36H62O10
分子量:
654.871492862701

b-D-吡喃葡萄糖苷,(3b,9b,10a,22S,23R,24R)-22,23,24,25-四羟基-9-甲基-19-诺糖-5-烯-3-基(134886-64-9)名称与标识符

名称

英文别名:
b-D-Glucopyranoside, (3b,9b,10a,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl;(3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthr;b-D-Glucopyranoside, (3b,9b,10a,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-...;momorcharaside B;(3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol (non-preferred name);beta-D-Glucopyranoside, (3beta,9beta,10alpha,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl;CHEBI:188039;134886-64-9;(3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol;

标识符

InChIKey:
BQQVUJRUVFZIJJ-MCUCJKLQSA-N
Inchi:
1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3/t18-,19+,21-,22+,23?,24?,25-,26+,27-,28+,29+,30+,31-,34+,35+,36-/m0/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C1CC[C@H]2C(C1(C)C)=CCC1[C@]2(C)CC[C@]2(C)[C@@H]([C@H](C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O)CC[C@]21C

b-D-吡喃葡萄糖苷,(3b,9b,10a,22S,23R,24R)-22,23,24,25-四羟基-9-甲基-19-诺糖-5-烯-3-基(134886-64-9)物化性质

实验特性

  • 折射率 : 1.59
  • 沸点 : 810°Cat760mmHg
  • 闪点 : 443.7°C
  • 密度 : 1.27

计算特性

  • 精确分子量 : 654.434
  • 氢键供体数量 : 8
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 8
  • 同位素质量 : 654.434
  • 重原子数量 : 46
  • 复杂度 : 1140
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 14
  • 不确定原子立构中心数量 : 2
  • 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) : 3.2
  • 拓扑分子极性表面积 : 180Ų