Basic Information |
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Product Name: | 13-ACETYL-9-DIHYDROBACCATIN III |
CAS: | 142203-65-4 |
English Synonyms: | 9-DIHYDRO-13-ACETYL BACCATIN III ; 9-DHB ; 13-ACETYL-9-DIHYDROBACCATIN III |
MDL Number.: | MFCD01310496 |
H bond acceptor: | 10 |
H bond donor: | 3 |
Smile: | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3C[C@](C2(C)C)(C[C@@H]1OC(=O)C)O)(CO4)OC(=O)C)O)C)O)OC(=O)C |
InChi: | InChI=1S/C26H38O10/c1-12-16(34-13(2)27)9-25(32)10-17-24(7,18(30)8-19-26(17,11-33-19)36-15(4)29)22(31)21(35-14(3)28)20(12)23(25,5)6/h16-19,21-22,30-32H,8-11H2,1-7H3/t16-,17-,18-,19+,21+,22-,24-,25-,26+/m0/s1 |
InChiKey: | InChIKey=HZONGTIGNCOSIU-OCOKNRCZSA-N |
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