Basic Information |
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| Product Name: | ACOFORESTININE |
| CAS: | 110011-77-3 |
| English Synonyms: | ACOFORESTININE ; 8-O-ETHYLYUNACONITINE |
| MDL Number.: | MFCD11975456 |
| H bond acceptor: | 10 |
| H bond donor: | 3 |
| Smile: | COC[C@]12CN[C@@H]3[C@H]4[C@H]5C[C@@H]([C@]6(C[C@H]([C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)C3([C@@H]1[C@H]4OC)[C@H](C[C@H]2O)OC)O)OC |
| InChi: | InChI=1S/C31H43NO9/c1-36-14-29-13-32-26-23-17-10-20(38-3)30(35)12-18(31(26,25(29)24(23)40-5)21(39-4)11-19(29)33)22(17)27(30)41-28(34)15-6-8-16(37-2)9-7-15/h6-9,17-27,32-33,35H,10-14H2,1-5H3/t17-,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,29-,30-,31?/m0/s1 |
| InChiKey: | InChIKey=XISSUEXEHQIQCY-KLMHWHESSA-N |
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