basic_info |
|
| Product_Name: | 14-HYDROXY-10-DEACETYLBACCATIN |
| CAS: | 145533-34-2 |
| EnglishSynonyms: | 14-HYDROXY-10-DEACETYLBACCATIN |
| pro_mdlNumber: | MFCD23380140 |
| pro_acceptors: | 11 |
| pro_donors: | 5 |
| pro_smile: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)([C@H]([C@@H]1O)O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O |
| InChi: | InChI=1S/C29H36O11/c1-13-18-20(33)22(34)27(5)16(31)11-17-28(12-38-17,40-14(2)30)21(27)24(39-25(36)15-9-7-6-8-10-15)29(37,26(18,3)4)23(35)19(13)32/h6-10,16-17,19-21,23-24,31-33,35,37H,11-12H2,1-5H3/t16-,17+,19+,20+,21-,23-,24-,27+,28-,29+/m0/s1 |
| InChiKey: | InChIKey=FNZPZCTVRVPPAB-YZSQHPIKSA-N |
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