Mol:
33570-04-6.mol by:chem960.com
ChemDraw08031019472D
…………
0
1.7173 -0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0227 -4.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8934 -3.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1116 -5.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9748 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2484 -5.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1600 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
3 1 1 1 0 0
1 16 2 0 0 0
2 4 1 0 0 0
3 5 1 0 0 0
3 12 1 0 0 0
3 6 1 0 0 0
4 9 1 6 0 0
5 4 1 1 0 0
5 8 1 0 0 0
5 11 1 0 0 0
6 7 1 0 0 0
6 14 1 6 0 0
7 8 1 0 0 0
8 18 1 1 0 0
8 20 1 0 0 0
9 10 1 0 0 0
10 11 1 0 0 0
10 15 2 0 0 0
11 19 1 6 0 0
12 13 1 0 0 0
13 14 1 0 0 0
13 17 2 0 0 0
20 21 1 0 0 0
20 22 1 0 0 0
20 23 1 0 0 0
M END
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白果内酯 MDL: MFCD00132880
白果内酯 InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N
白果内酯 Inchi: InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
白果内酯 SMILES: O=C(O1)C[C@@]2([C@]1([H])C[C@]3(C(C)(C)C)O)[C@@]34[C@](OC([C@@H]4O)=O)([H])OC2=O