26543-87-3 (a-D-吡喃葡萄糖苷,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(乙酰氧基)-1-甲基乙基]-1,2,4,5,6,6a,7,8,9,10a-十氢-1,5-二羟基-9-(甲氧基甲基)-6,10a-二甲基二环戊[a,D]环辛烯-4-基-6-O-(1,1-二甲基-2-丙烯基)-,a-D-Glucopyranoside,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl6-O-(1,1-dimethyl-2-propenyl)-)

CAS号:
26543-87-3
中文名称:
a-D-吡喃葡萄糖苷,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(乙酰氧基)-1-甲基乙基]-1,2,4,5,6,6a,7,8,9,10a-十氢-1,5-二羟基-9-(甲氧基甲基)-6,10a-二甲基二环戊[a,D]环辛烯-4-基-6-O-(1,1-二甲基-2-丙烯基)-
英文名称:
a-D-Glucopyranoside,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl6-O-(1,1-dimethyl-2-propenyl)-
分子式:
C34H54O11
分子量:
638.785972118378

a-D-吡喃葡萄糖苷,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(乙酰氧基)-1-甲基乙基]-1,2,4,5,6,6a,7,8,9,10a-十氢-1,5-二羟基-9-(甲氧基甲基)-6,10a-二甲基二环戊[a,D]环辛烯-4-基-6-O-(1,1-二甲基-2-丙烯基)-(26543-87-3)名称与标识符

名称

英文别名:
a-D-Glucopyranoside,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl6-O-(1,1-dimethyl-2-propenyl)-;a-D-Glucopyranoside,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihyd;a-D-Glucopyranoside,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl6-O-(1;3'-Deacetylfusicoccin A;3'-Monodeacetylfusicoccin;a-D-Glucopyranoside,3-[2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl6-O-(1,1-dimethyl-2-propenyl)-, [1S-[1a,3(R*),4a,5b,6b,6aa,9b,10ab]]-;Dicyclopenta[a,d]cyclooctene, a-D-glucopyranoside deriv.;FusicoccinC (8CI);Monodeacetylfusicoccin;(1S,4R,5R,6R,6aS,9S,10aR)-3-((1S)-2-(Acetyloxy)-1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta(a,d)cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-alpha-D-glucopyranoside;DTXSID80864920;.ALPHA.-D-GLUCOPYRANOSIDE, 3-(2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-, (1S-(1.ALPHA.,3(R*),4.ALPHA.,5.BETA.,6.BETA.,6A.ALPHA.,9.BETA.,10A.BETA.))-;Sit;alpha-D-Glucopyranoside, 3-(2-(acetyloxy)-1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta(a,d)cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-, (1S-(1alpha,3(R*),4alpha,5beta,6beta,6a;Q27896930;26543-87-3;V9WUG372BX;UNII-V9WUG372BX;(1S,4R,5R,6R,6AS,9S,10AR)-3-((1S)-2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-.ALPHA.-D-GLUCOPYRANOSIDE;De-acetylated Fusicoccin;Fusicoccin C;F/IV;

标识符

InChIKey:
IEYDDQSCFAJEQD-AHQPFIERSA-N
Inchi:
1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1
SMILES:
O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(C=C)(C)C)O1)O)O)O)[C@H]1[C@@H]([C@H](C)[C@@H]2CC[C@H](COC)C2=C[C@@]2(C)[C@H](CC([C@H](C)COC(C)=O)=C21)O)O |c:30|

a-D-吡喃葡萄糖苷,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(乙酰氧基)-1-甲基乙基]-1,2,4,5,6,6a,7,8,9,10a-十氢-1,5-二羟基-9-(甲氧基甲基)-6,10a-二甲基二环戊[a,D]环辛烯-4-基-6-O-(1,1-二甲基-2-丙烯基)-(26543-87-3)物化性质

计算特性

  • 精确分子量 : 638.367
  • 氢键供体数量 : 5
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 12
  • 同位素质量 : 638.367
  • 重原子数量 : 45
  • 复杂度 : 1130
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 13
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 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) : 0.4
  • 拓扑分子极性表面积 : 164A^2

a-D-吡喃葡萄糖苷,(1S,4R,5R,6R,6aS,9S,10aR)-3-[(1S)-2-(乙酰氧基)-1-甲基乙基]-1,2,4,5,6,6a,7,8,9,10a-十氢-1,5-二羟基-9-(甲氧基甲基)-6,10a-二甲基二环戊[a,D]环辛烯-4-基-6-O-(1,1-二甲基-2-丙烯基)-(26543-87-3)相关文献