BRUCINE N-OXIDE HYDRATE

CAS No.
17301-81-4
CCD No.
CCD00074894
Formula
C23 H26 N2 O5 . H2 O
MolWeight
428.482

Basic Information

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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