1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel-结构式

1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel-
中文名称:1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel-
英文名称:1,4,6(5H)-Naphthalenetrione,2-chloro-5-diazo-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-3,8-dihydroxy-7-methyl-2-(3-methyl-2-buten-1-yl)-,(2R,3S)-rel-
CAS No.:110200-32-3
分子式:C26H31N2O5Cl 分子量:486.98774
1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel- 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0
    2.7189    3.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    4.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186    2.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0795    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4403    2.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    1.5713    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0801    6.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    7.0674    0.0000 O   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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 22  2  0  0  0  0
 31 32  1  0  0  0  0
 23 33  1  0  0  0  0
 33 11  1  0  0  0  0
 33 34  2  0  0  0  0
M  CHG  1  25   1
M  CHG  1  32  -1
M  END                                
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1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel- Smile 编码:
C/C(=C/CC/C(=C/C[C@@]1(C(=O)C2=C(C(=C(C([O-])=C2C(=O)C1(Cl)C/C=C(\C)/C)C)O)[N+]#N)O)/C)/C
1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel- InChi 编码:
InChI=1S/C26H31ClN2O5/c1-14(2)8-7-9-16(5)11-13-26(34)24(33)18-19(21(30)17(6)22(31)20(18)29-28)23(32)25(26,27)12-10-15(3)4/h8,10-11,34H,7,9,12-13H2,1-6H3,(H-,30,31,32)/b16-11+/t25?,26-/m0/s1
1,4,6(5H)-萘三酮,2-氯-5-重氮-3-[(2E)-3,7-二甲基-2,6-辛二烯-1-基]-2,3-二氢-3,8-二羟基-7-甲基-2-(3-甲基-2-丁烯-1-基)-,(2R,3S)-rel- InChiKey 编码:
LPYVLCLBZOVMKA-UDONJXMRSA-N