sophocarpine hydrate

CAS: 145572-44-7

Formula: C15H24N2O2

SMILES: O.[H][C@]12CCCN3CCC[C@]([H])([C@@]4([H])CC=CC(=O)N4C1)[C@]23[H]

IUPAC: (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one hydrate

InChI: InChI=1S/C15H22N2O.H2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14;/h1,7,11-13,15H,2-6,8-10H2;1H2/t11-,12+,13+,15-;/m1./s1

Composition: C (68.15%), H (9.15%), N (10.60%), O (12.10%)

Molar Mass: 264.369

Atom Count: 43

Heavy Atom Count: 19