Analyte Name

Brucine N-Oxide Hydrate

CAS Number

17301-81-4

Molecular Formula

C23 H26 N2 O5

Molecular Weight

410.463

Accurate Mass

410.184

SMILES

COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7(=O)CC[C@]4([C@@H]7C[C@H]56)c2cc1OC

InChI

InChI=1S/C23H26N2O5/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/t13-,18-,19-,21-,22-,23+,25?/m0/s1

IUPAC

(4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat