Basic Information |
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Product Name: | BRUCINE N-OXIDE HYDRATE |
CAS: | 17301-81-4 |
English Synonyms: | BRUCINE N-OXIDE HYDRATE |
MDL Number.: | MFCD00150883 |
H bond acceptor: | 7 |
H bond donor: | 0 |
Smile: | COc1cc2c(cc1OC)N3[C@@H]4[C@]25CC[N+]6([C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6)[O-].O |
InChi: | InChI=1S/C23H26N2O5.H2O/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;1H2/t13-,18-,19-,21-,22-,23+,25?;/m0./s1 |
InChiKey: | InChIKey=RBUBDBHVJGGRFG-RCZQZUMKSA-N |
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