Mol:
19685-09-7.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0
4.5475 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9953 -4.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 -2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1569 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1569 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2050 -5.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0
1 18 1 0 0 0
10 2 1 1 0 0
3 13 2 0 0 0
4 17 2 0 0 0
5 25 1 0 0 0
6 8 1 0 0 0
6 13 1 0 0 0
6 16 1 0 0 0
7 12 2 0 0 0
7 20 1 0 0 0
8 12 1 0 0 0
8 15 2 0 0 0
9 10 1 0 0 0
9 11 2 0 0 0
9 15 1 0 0 0
10 17 1 0 0 0
10 22 1 6 0 0
11 13 1 0 0 0
11 18 1 0 0 0
12 14 1 0 0 0
14 16 1 0 0 0
14 19 2 0 0 0
19 21 1 0 0 0
20 21 2 0 0 0
20 24 1 0 0 0
21 23 1 0 0 0
22 27 1 0 0 0
23 25 2 0 0 0
24 26 2 0 0 0
25 26 1 0 0 0
M END
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10-羟基喜树碱 MDL:
MFCD02093100
10-羟基喜树碱 InChIKey:
HAWSQZCWOQZXHI-FQEVSTJZSA-N
10-羟基喜树碱 Inchi:
1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
10-羟基喜树碱 SMILES:
O1CC2C(N3CC4=CC5C=C(C=CC=5N=C4C3=CC=2[C@@](CC)(C1=O)O)O)=O