5'-Hydroxy Dihydro Ergotamine

Analyte Name

5'-Hydroxy Dihydro Ergotamine

Molecular Formula

C33 H37 N5 O6

Molecular Weight

599.677

Accurate Mass

599.274

SMILES

CN1C[C@H](C[C@@H]2[C@@H]1Cc3c(O)[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O

InChI

InChI=1S/C33H37N5O6/c1-32(31(42)38-25(14-18-8-4-3-5-9-18)30(41)37-13-7-12-26(37)33(38,43)44-32)35-28(39)19-15-21-20-10-6-11-23-27(20)22(29(40)34-23)16-24(21)36(2)17-19/h3-6,8-11,19,21,24-26,34,40,43H,7,12-17H2,1-2H3,(H,35,39)/t19-,21-,24-,25+,26-,32+,33-/m0/s1

IUPAC

(6aS,9S,10aS)-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]-5-hydroxy-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