basic_info |
|
| Product_Name: | EXCISANIN B |
| CAS: | 78536-36-4 |
| EnglishSynonyms: | EXCISANIN B |
| pro_mdlNumber: | MFCD17214883 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CC(=O)O[C@H]1C[C@H]2[C@@]3([C@H](CCC([C@H]3C[C@H]([C@@]24[C@@H]([C@@H]1C(=C)C4=O)O)O)(C)C)O)C |
| InChi: | InChI=1S/C22H32O6/c1-10-17-12(28-11(2)23)8-14-21(5)13(20(3,4)7-6-15(21)24)9-16(25)22(14,18(10)26)19(17)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14-,15-,16+,17+,19+,21+,22-/m0/s1 |
| InChiKey: | InChIKey=VAAUVQKKXHANPM-DQHXIWAQSA-N |
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