| 2D Structure | |
| CID | 3084035 |
| IUPAC Name | (6aR,9R)-N-[(1S,2S,4R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| InChI | InChI=1S/C28H33N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)13-17/h4,6-7,10,12,15,17,21-22,29,37H,5,8-9,11,13-14H2,1-3H3,(H,30,35)/t17-,21-,22+,27-,28+/m1/s1 |
| InChI Key | XLMJRFCCCWFQRE-SJRQCXNHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C28H33N5O5 |
| Molecular Weight | 519.6 |
| synonyms | ['Ecboline', 'ERGOTOXINE', 'Ergotoxin', '8006-25-5', 'DTXSID90230056', '2J09Y26C6I', '(6aR,9R)-N-[(1S,2S,4R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide', '(6aR,9R)-N-((1S,2S,4R)-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-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide', 'DTXCID90152547', "2'beta-Isopropylergopeptine", '13GR36R05G', '59630-30-7', 'UNII-13GR36R05G', 'UNII-2J09Y26C6I', 'SCHEMBL3009864', 'SCHEMBL29377146', "2'.BETA.-ISOPROPYLERGOPEPTINE", "Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-, (5'alpha)-", 'NS00075541', 'Q27251515', "ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-, (5'.ALPHA.)-"] |
From Pubchem