Analyte Name

Dihydro N-Ethyl Ergotamine

Molecular Formula

C34 H37 N5 O5

Molecular Weight

595.688

Accurate Mass

595.279

SMILES

CCN1C[C@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O

InChI

InChI=1S/C34H37N5O5/c1-3-37-19-22(16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37)30(40)36-33(2)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26+,27+,28-,33+,34-/m0/s1

IUPAC

(6aR,9S)-N-[(1S,2S,4R,7R)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat