3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI)结构式

3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI)
中文名称:3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI)
英文名称:3,31-Methano-1H-4-benzazacyclononacosine-1,5,15,27,32(4H,12H,18H)-pentone,13,14,19,22,23,24-hexahydro-13,19,23,28-tetrahydroxy-12,16,22,24,26,29-hexamethyl-2-(methylthio)-,(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)- (9CI)
CAS No.:101190-61-8
分子式:C40H47NO9S 分子量:717.86748
3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI) 数据
Mol:
0  0  0  0  0  0  0  0
    4.1563    0.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225    1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1188    2.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4923    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960    0.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8283    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6320    1.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5945    4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    5.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9305    5.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   10.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674   10.5423    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373   11.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185   12.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   13.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END                                
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3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI) Smile 编码:
OC1CC=C(C)C(=O)CC(O)C(C)C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(O)=C3C(=O)C(C)=CC(C)C(O)C(C)C=C1)C)SC
3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI) InChi 编码:
InChI=1S/C40H47NO9S/c1-21-12-10-8-9-11-13-31(45)41-34-38(49)28-19-26(6)37(48)33(32(28)39(50)40(34)51-7)36(47)25(5)18-24(4)35(46)23(3)15-17-27(42)16-14-22(2)30(44)20-29(21)43/h8-15,17-19,21,23-24,27,29,35,42-43,46,48H,16,20H2,1-7H3,(H,41,45)/b9-8-,12-10+,13-11+,17-15+,22-14+,25-18-
3,31-亚甲基-1H-4-苯并氮杂环壬余弦-1,5,15,27,32(4H,12H,18H)-戊酮,13,14,19,22,23,24-六氢-13,19,23,28-四羟基-12,16,22,24,26,29-六甲基-2-(甲硫基)-(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-(9CI) InChiKey 编码:
POAHCCMNKFMDNG-HODGDDQQSA-N