8-Isoergocornine

cas: 564-37-4 — see every product listed under this CAS number, including other names

8-Isoergocornine (CAS 564-37-4) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-I815710-5MG
cas564-37-4
size5mg
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(6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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 (CAS 564-37-4) is a chemical compound with the molecular formula C31H39N5O5 and a molecular weight of 561.7 g/mol. IUPAC name: (6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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. InChIKey: UJYGDMFEEDNVBF-KMKPOGODSA-N.

Identity
Molecular formulaC31H39N5O5
Molecular weight561.7 g/mol
IUPAC name(6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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
InChIKeyUJYGDMFEEDNVBF-KMKPOGODSA-N
SMILESCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Computed by PubChem (NCBI)

Synonyms: Ergocorninine, Isoergocornine, 12'-Hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)-8alpha-ergotaman
Related forms of this compound
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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 C31H39N5O5

Also listed as

Ergocorninine Chemat Brand CAS 564-37-4