新橙皮苷结构式

中文名称:新橙皮苷
英文名称:Neohesperidin
CAS No.:13241-33-3
分子式:C28H34O15 分子量:610.5606
新橙皮苷 数据
Mol:
 0  0  0  0  0  0  0
   13.5979   14.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9576   14.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382   14.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8786   11.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382   12.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8786   10.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    9.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5189    9.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5189    7.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593    7.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593   10.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    9.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    7.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 17 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 23  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 20  1  0  0  0  0
 13 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 10  1  0  0  0  0
M  END                                
  如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
新橙皮苷 Smile 编码:
COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O2)O)C=C1O
新橙皮苷 InChi 编码:
1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17+,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
新橙皮苷 InChiKey 编码:
ARGKVCXINMKCAZ-GNKGNJJFSA-N