Analyte Name

Bromo-des-methyl-beta-Ergokryptine

Molecular Formula

C31 H38 Br N5 O5

Molecular Weight

640.568

Accurate Mass

639.206

SMILES

CCC(C)[C@@H]1N2C(=O)[C@@](NC(=O)[C@@H]3CN[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

InChI

InChI=1S/C31H38BrN5O5/c1-5-16(4)25-28(39)36-11-7-10-23(36)31(41)37(25)29(40)30(42-31,15(2)3)35-27(38)17-12-19-18-8-6-9-21-24(18)20(26(32)34-21)13-22(19)33-14-17/h6,8-9,12,15-17,22-23,25,33-34,41H,5,7,10-11,13-14H2,1-4H3,(H,35,38)/t16?,17-,22+,23-,25-,30-,31-/m0/s1

IUPAC

(6aR,9S)-5-bromo-N-[(1S,2S,4S,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat