99694-86-7 (三环氧并[4b,5:6,7:8a,9]菲[1,2-c]呋喃-1(3H)-酮,3b,4,4a,6,6a,7a,7b,8b,9,10-十氢-6-羟基-6a-(1-羟基-1-甲基乙基)-8b-甲基-(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-,Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-)

CAS号:
99694-86-7
中文名称:
三环氧并[4b,5:6,7:8a,9]菲[1,2-c]呋喃-1(3H)-酮,3b,4,4a,6,6a,7a,7b,8b,9,10-十氢-6-羟基-6a-(1-羟基-1-甲基乙基)-8b-甲基-(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
英文名称:
Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
分子式:
C20H24O7
分子量:
376.400366783142

三环氧并[4b,5:6,7:8a,9]菲[1,2-c]呋喃-1(3H)-酮,3b,4,4a,6,6a,7a,7b,8b,9,10-十氢-6-羟基-6a-(1-羟基-1-甲基乙基)-8b-甲基-(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-(99694-86-7)名称与标识符

名称

英文别名:
Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-;99694-86-7;8BBS7D4LA5;SCHEMBL19255542;Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10,-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-, (3bS-(3balpha,4aalpha,5aR*,6beta,6abeta,7abeta,7balpha,8aR*,8bbeta))-;(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one;APBNDXHFQWSYOS-KSYZUNFVSA-N;Q15634169;DTXSID60244206;Triptolidenol;15-Hydroxytriptolide;UNII-8BBS7D4LA5;(3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYLTRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE;CHEMBL4798681;CHEBI:132333;TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-, (3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-;TRIPTOLIDE, 15-HYDROXY-;(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-(2-hydroxypropan-2-yl)-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one;TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-, (3BS-(3B.ALPHA.,4A.ALPHA.,5AR*,6.BETA.,6A.BETA.,7A.BETA.,7B.ALPHA.,8AR*,8B.BETA.))-;

标识符

InChIKey:
APBNDXHFQWSYOS-KSYZUNFVSA-N
Inchi:
1S/C20H24O7/c1-16(2,23)19-12(26-19)13-20(27-13)17(3)5-4-8-9(7-24-14(8)21)10(17)6-11-18(20,25-11)15(19)22/h10-13,15,22-23H,4-7H2,1-3H3/t10-,11-,12-,13-,15-,17-,18+,19-,20+/m0/s1
SMILES:
O1[C@H]2[C@H]3[C@@](C(C)(C)O)([C@H]([C@]45[C@H](C[C@H]6C7COC(C=7CC[C@]6(C)[C@@]142)=O)O5)O)O3

三环氧并[4b,5:6,7:8a,9]菲[1,2-c]呋喃-1(3H)-酮,3b,4,4a,6,6a,7a,7b,8b,9,10-十氢-6-羟基-6a-(1-羟基-1-甲基乙基)-8b-甲基-(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-(99694-86-7)物化性质

实验特性

  • 折射率 : 1.671
  • 沸点 : 650.8°C at 760 mmHg
  • 闪点 : 238.4°C
  • 密度 : 1.56

计算特性

  • 精确分子量 : 376.152
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 1
  • 同位素质量 : 376.152
  • 重原子数量 : 27
  • 复杂度 : 864
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 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) : -0.6
  • 拓扑分子极性表面积 : 104Ų

三环氧并[4b,5:6,7:8a,9]菲[1,2-c]呋喃-1(3H)-酮,3b,4,4a,6,6a,7a,7b,8b,9,10-十氢-6-羟基-6a-(1-羟基-1-甲基乙基)-8b-甲基-(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-(99694-86-7)相关文献