灵芝酸 B结构式

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：516.6662

灵芝酸 B 数据

Mol:

  0  0  0  0  0  0  0  0  0  0
   13.1835    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9028    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9034    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5426    5.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5427    7.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8325    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0475    3.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9028    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5431    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 18  1  1  0  0  0
 15 19  1  6  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 13  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 20  1  0  0  0  0
 29 30  1  1  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 25  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。

灵芝酸 B Smile 编码:

O([H])[C@]1([H])C([H])([H])[C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2C(C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])=O)C([H])([H])C([C@@]3(C([H])([H])[H])C=21)=O)=O)O[H]

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-JHTUFKNPSA-N

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