裸子内酯C结构式

裸子内酯C
中文名称:裸子内酯C
英文名称:gymnoascolide C
CAS No.:865092-04-2
分子式:C18H16O4 分子量:296.31724
裸子内酯C 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0  0
    8.5129    5.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    4.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3533    2.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7151    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    1.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  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  3  1  0  0  0  0
M  END                                
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裸子内酯C Smile 编码:
CO[C@H]1OC(=O)C(C2C=CC=CC=2)=C1C(C1C=CC=CC=1)O
裸子内酯C InChi 编码:
InChI=1S/C18H16O4/c1-21-18-15(16(19)13-10-6-3-7-11-13)14(17(20)22-18)12-8-4-2-5-9-12/h2-11,16,18-19H,1H3/t16?,18-/m0/s1
裸子内酯C InChiKey 编码:
MNJDDTIBFQZPQZ-DAFXYXGESA-N