SpectraBase Compound ID | L6SqAjVO0aB |
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InChI | InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24(16)6)20(26)22(5,28-15(4)25)21(27)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m1/s1 |
InChIKey | KKWBFPZLUFVQGF-BQZFOHFJSA-N |
Mol Weight | 403.91 g/mol |
Molecular Formula | C22H26ClNO4 |
Exact Mass | 403.155036 g/mol |
SpectraBase Spectrum ID | 1Zw11Zz3lg |
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Name | 8-N-Methyl-Sclerotiorinamine |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H26ClNO4 |
InChI | InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24(16)6)20(26)22(5,28-15(4)25)21(27)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m1/s1 |
InChIKey | KKWBFPZLUFVQGF-BQZFOHFJSA-N |
Molecular Weight | 403.906 g/mol |
SMILES | C=12C(=C(Cl)C([C@@](C2=O)(OC(=O)C)C)=O)C=C(N(C1)C)\C=C\C(=C\C(CC)C)C |
SPLASH | splash10-0j6r-4009300000-3a63429129f34a193978 |
Source of Spectrum | G4-63-1304-2 |
Synonyms | Acetic acid [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxo-7-isoquinolinyl] ester [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxoisoquinolin-7-yl] acetate [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxo-7-isoquinolyl] acetate [(7R)-5-chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] ethanoate |
Wiley ID | 1608613 |