灵芝酸 B结构式

灵芝酸 B
中文名称:灵芝酸 B
英文名称:Ganoderic acid B
CAS No.:81907-61-1
分子式:C30H44O7 分子量:516.666170120239
灵芝酸 B 数据
Mol:
 0  0  0  0
   -3.4635   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8901   -7.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0048   -6.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4314   -6.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5461   -5.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9727   -6.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2846   -7.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7112   -7.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1699   -8.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0874   -5.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7433   -8.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2020   -8.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -7.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901   -7.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  6
  7 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 28 32  1  6
 26 33  2  0
 24 34  1  6
 23 35  1  6
 35 36  1  0
 36 37  2  0
 21  2  1  0
 36  2  1  0
  9  3  1  0
 17  5  1  0
M  END                                
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灵芝酸 B Smile 编码:
C[C@@]12C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]1(C)CC(=O)C1[C@]3(CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](C2=1)O)C
灵芝酸 B InChi 编码:
1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,28+,29-,30+/m1/s1
灵芝酸 B InChiKey 编码:
LWPLEHFGBRFRKI-NBCWKOIPSA-N
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