SpectraBase Compound ID | 7B0m8HQbNPW |
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InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(30)13-17(25)21(29)20(26)22(24)32-23(18)31-4/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18?,20?,22-,23+,24+/m1/s1 |
InChIKey | BZCAAMLTKGWGQU-ZFYGXTHKSA-N |
Mol Weight | 488.5 g/mol |
Molecular Formula | C24H35Cl2NO5 |
Exact Mass | 487.189229 g/mol |
SpectraBase Spectrum ID | 7ewk1JlWyEo |
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Name | Dankastatin A |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H35Cl2NO5 |
InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(30)13-17(25)21(29)20(26)22(24)32-23(18)31-4/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18?,20?,22-,23+,24+/m1/s1 |
InChIKey | BZCAAMLTKGWGQU-ZFYGXTHKSA-N |
Molecular Weight | 488.452 g/mol |
SMILES | N(C1[C@](O[C@]2([C@@](C1)(C=C(C(C2Cl)=O)Cl)O)[H])(OC)[H])C(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O |
SPLASH | splash10-0a6s-5790000000-8973496cf347836247d1 |
Source of Spectrum | G4-71-344-5 |
Wiley ID | 1694962 |