ergocristinine (Q27283022): Difference between revisions

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Property / stereoisomer of
 
Property / stereoisomer of: (4R,7R)-N-[(1S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid / rank
Normal rank
 
Property / stereoisomer of: (4R,7R)-N-[(1S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid / reference
 

Revision as of 10:18, 14 April 2024

chemical compound
Language Label Description Also known as
English
ergocristinine
chemical compound

    Statements

    mass
    609.295±0 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    7067483
    language of work or name
    English
    title
    Ergocristinine (English)
    retrieved
    14 October 2016
    chemical formula
    C₃₅H₃₉N₅O₅
    1 reference
    stated in
    PubChem
    PubChem CID
    7067483
    language of work or name
    English
    title
    Ergocristinine (English)
    retrieved
    14 October 2016
    canonical SMILES
    CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C
    1 reference
    stated in
    PubChem
    PubChem CID
    7067483
    language of work or name
    English
    title
    Ergocristinine (English)
    retrieved
    14 October 2016
    isomeric SMILES
    CC(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
    1 reference
    stated in
    PubChem
    PubChem CID
    7067483
    language of work or name
    English
    title
    Ergocristinine (English)
    retrieved
    14 October 2016

    Identifiers

    ECHA Substance Infocard ID
    100.007.382
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.007.382
    retrieved
    27 December 2018
    title
    (8α)-5'α-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione (English)
    quotation
    CAS no.: 511-07-9 (English)
     
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