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| IUPAC Name: | (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2S)-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]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| Description: | 9,10-Dihydro-β-ergocryptine was used in many studies to separate and characterize ergot alkaloids and its derivatives. |
| Molecular Weight: | 577.71 |
| Molecular Formula: | C32H43N5O5 |
| Canonical SMILES: | CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O |
| InChI: | InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20+,22+,24+,25-,27-,31+,32-/m0/s1 |
| InChI Key: | SBFXHXZNBNFPHV-PSELOKDRSA-N |
| References: | Chervet, J., et al. J. Chromatogr., 295, 282 (1984)p; Schlientz, W., et al. Experientia, 23, 991 (1967), Papp, E., et al. J. Chromatogr., 502, 241 (1990); Herenyi, B., et al. J. Chromatogr., 238, 250 (1982). |
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