Products 511-08-0

CAS 511-08-0 appears in our catalog under these names: Ergocristine, Ergocristine, >95% (HPLC). Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, Biosynth, HPC Standards. Available pack sizes: on request, 1mg, 0,5mg, 2mg, 5mg, 10mg, 25mg, 1x5mg.

Ergocristine
Chemat Brand, Dr. Ehrenstorfer, Biosynth
  • size: on request, 0,5mg, 2mg, 1mg
  • Variants: 8
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Ergocristine, >95% (HPLC)
TRC
  • size: 1mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Ergocristine is ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. It derives from a hydride of an ergotaman.

Source: ChEBI

Identity
Molecular formulaC35H39N5O5
Molecular weight609.7 g/mol
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-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
InChIKeyHEFIYUQVAZFDEE-MKTPKCENSA-N
SMILESCC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C

Computed by PubChem (NCBI)

Synonyms: Ergocristine, Ergocrystine, 5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman, 12'-hydroxy-2'-(1-methyl)-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione, ergocrystin, ergokrystin, Ergocristin, ERGOCRISTINE [MI], Lopac0_000514, 4-25-00-00966 (Beilstein Handbook Reference)
Related forms of this compound
(6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-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 C35H39N5O5