| SpectraBase Compound ID | KKTLsCeBHo2 |
|---|---|
| InChI | InChI=1S/C46H48BrN5O14/c1-9-24(2)52(25(3)53)23-43(59)50-37(16-32-18-41(64-28(6)56)44(66-30(8)58)42(19-32)65-29(7)57)46(61)51-38(20-33-22-49-36-21-34(47)11-12-35(33)36)45(60)48-15-14-31-10-13-39(62-26(4)54)40(17-31)63-27(5)55/h10-19,21-22,24,38,49H,9,20,23H2,1-8H3,(H,48,60)(H,50,59)(H,51,61)/b15-14+,37-16- |
| InChIKey | NPIZCKXIGWJSPB-UETLWUOKSA-N |
| Mol Weight | 974.8 g/mol |
| Molecular Formula | C46H48BrN5O14 |
| Exact Mass | 973.238114 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ISDHvqTCTHo |
|---|---|
| Name | Hexaacetylcelenamide A |
| Alternate Name(s) | 2,6-bis(acetyloxy)-4-[(1Z)-2-[(1-{[(E)-2-[3,4-bis(acetyloxy)phenyl]ethenyl]carbamoyl}-2-(6-bromo-1H-indol-3-yl)ethyl)carbamoyl]-2-{2-[N-(butan-2-yl)acetamido]acetamido}eth-1-en-1-yl]phenyl acetate |
| CAS Registry Number | 74144-16-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H48BrN5O14 |
| InChI | InChI=1S/C46H48BrN5O14/c1-9-24(2)52(25(3)53)23-43(59)50-37(16-32-18-41(64-28(6)56)44(66-30(8)58)42(19-32)65-29(7)57)46(61)51-38(20-33-22-49-36-21-34(47)11-12-35(33)36)45(60)48-15-14-31-10-13-39(62-26(4)54)40(17-31)63-27(5)55/h10-19,21-22,24,38,49H,9,20,23H2,1-8H3,(H,48,60)(H,50,59)(H,51,61)/b15-14+,37-16- |
| InChIKey | NPIZCKXIGWJSPB-UETLWUOKSA-N |
| Molecular Weight | 974.815 g/mol |
| SMILES | N(C(\C(=C\c1cc(c(c(OC(=O)C)c1)OC(=O)C)OC(=O)C)NC(CN(C(=O)C)C(CC)C)=O)=O)C(Cc1c[nH]c2c1ccc(c2)Br)C(N\C=C\c1cc(OC(=O)C)c(cc1)OC(=O)C)=O |
| SPLASH | splash10-0006-9821000000-efe2b7b6d91946dd003f |
| Source of Spectrum | J-45-3690-0 |
| Wiley ID | 1418315 |