Basic Information |
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| Product Name: | ACETOPHENONEHELVETICOSIDE |
| CAS: | 28719-24-6 |
| English Synonyms: | ACETOPHENONEHELVETICOSIDE |
| MDL Number.: | MFCD01740192 |
| H bond acceptor: | 9 |
| H bond donor: | 2 |
| Smile: | C[C@@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CC[C@@]6([C@@H]5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)c8ccccc8 |
| InChi: | InChI=1S/C37H48O9/c1-22-32-29(45-34(3,46-32)24-7-5-4-6-8-24)18-31(43-22)44-25-9-14-35(21-38)27-10-13-33(2)26(23-17-30(39)42-20-23)12-16-37(33,41)28(27)11-15-36(35,40)19-25/h4-8,17,21-22,25-29,31-32,40-41H,9-16,18-20H2,1-3H3/t22-,25+,26-,27+,28-,29+,31+,32-,33-,34?,35+,36+,37+/m1/s1 |
| InChiKey: | InChIKey=PVAIXHBTRMCOBL-ZGQWQKDCSA-N |
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