2’-(s-Butyl) 2’-Deisopropyl Dihydro Ergocristinine

Analyte Name

2'-(s-Butyl) 2'-Deisopropyl Dihydro Ergocristinine

Molecular Formula

C37 H45 N5 O4

Molecular Weight

623.784

Accurate Mass

623.347

SMILES

CCC(C)[C@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(C)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O

InChI

InChI=1S/C37H45N5O4/c1-5-22(2)37(39-33(43)25-18-27-26-13-9-14-28-32(26)24(20-38-28)19-29(27)40(4)21-25)35(45)42-30(17-23-11-7-6-8-12-23)34(44)41-16-10-15-31(41)36(42,3)46-37/h6-9,11-14,20,22,25,27,29-31,38H,5,10,15-19,21H2,1-4H3,(H,39,43)/t22?,25-,27-,29-,30+,31+,36+,37+/m1/s1

IUPAC

(6aR,9R,10aR)-N-[(1S,2S,4S,7S)-7-benzyl-4-butan-2-yl-2-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat