| SpectraBase Compound ID | F2uCDEyHfgj |
|---|---|
| InChI | InChI=1S/C44H57BrN2O10/c1-6-25-21-44-38(50)33(41(54)57-44)37(49)43(7-2)26(12-10-8-9-11-18-42(44,5)22-28(25)40(52)53)14-15-27-29(43)16-13-23(3)36(27)56-32-20-31(48)34(24(4)55-32)47-39(51)35-30(45)17-19-46-35/h11,14-15,17-19,22-27,29,31-32,34,36,46,48,50H,6-10,12-13,16,20-21H2,1-5H3,(H,47,51)(H,52,53)/b18-11+/t23-,24+,25-,26+,27+,29-,31+,32-,34+,36-,42-,43+,44+/m0/s1 |
| InChIKey | QZQXJOUQOTTXFH-MENCDKQWSA-N |
| Mol Weight | 853.8 g/mol |
| Molecular Formula | C44H57BrN2O10 |
| Exact Mass | 852.319659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARLd5mwDgRZ |
|---|---|
| Name | NAI414-C |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H57BrN2O10 |
| InChI | InChI=1S/C44H57BrN2O10/c1-6-25-21-44-38(50)33(41(54)57-44)37(49)43(7-2)26(12-10-8-9-11-18-42(44,5)22-28(25)40(52)53)14-15-27-29(43)16-13-23(3)36(27)56-32-20-31(48)34(24(4)55-32)47-39(51)35-30(45)17-19-46-35/h11,14-15,17-19,22-27,29,31-32,34,36,46,48,50H,6-10,12-13,16,20-21H2,1-5H3,(H,47,51)(H,52,53)/b18-11+/t23-,24+,25-,26+,27+,29-,31+,32-,34+,36-,42-,43+,44+/m0/s1 |
| InChIKey | QZQXJOUQOTTXFH-MENCDKQWSA-N |
| Literature Reference Author | C.MAZZETTI,M.ORNAGHI,E.DASPARI,S.PARAPINI,S.MAFFIOLI,M.SOSIO ,S.DONADIO |
| Literature Reference Citation | J.NAT.PROD.,75,1044(2012) |
| Literature Reference DOI | 10.1021/np300003n |
| Molecular Weight | 853.848 g/mol |
| Sample ID | 41072 |
| Solvent | CD3OD |