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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > hemiterpenoid indole alkaloid > ergot alkaloid > peptide ergot alkaloid > 8alpha-hydroxy-alpha-ergokryptine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > hemiterpenoid indole alkaloid > ergot alkaloid > peptide ergot alkaloid > 8alpha-hydroxy-alpha-ergokryptine

Preferred term

8alpha-hydroxy-alpha-ergokryptine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H41N5O6

inchi

  • InChI=1S/C32H41N5O6/c1-17(2)12-24-27(38)36-11-7-10-25(36)32(42)37(24)29(40)31(43-32,18(3)4)34-28(39)30(41)14-21-20-8-6-9-22-26(20)19(15-33-22)13-23(21)35(5)16-30/h6,8-9,14-15,17-18,23-25,33,41-42H,7,10-13,16H2,1-5H3,(H,34,39)/t23-,24+,25+,30+,31-,32+/m1/s1

inchikey

  • OWMJDWNRTCJHGS-NTDBBRRHSA-N

mass

  • 591.709

monoisotopicmass

  • 591.30568

smiles

  • O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CC(C)C)=O)(NC(=O)[C@]4(O)C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C(C)C)O)CCC2

subset

  • 2_STAR

synonym EXACT

  • (6aR,9S)-9-hydroxy-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-g]quinoline-9-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199949

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