| SpectraBase Compound ID | 3akbUiAQL6L |
|---|---|
| InChI | InChI=1S/C43H52BrN7O10/c1-23-38(53)48-31(16-17-37(45)52)42(57)49(3)32(18-25-8-12-28(59-6)13-9-25)39(54)47-24(2)41(56)51(5)34-19-26-10-14-29(15-11-26)61-36-21-27(30(44)22-35(36)60-7)20-33(40(55)46-23)50(4)43(34)58/h8-15,21-24,31-34H,16-20H2,1-7H3,(H2,45,52)(H,46,55)(H,47,54)(H,48,53)/t23-,24+,31+,32+,33+,34+/m1/s1 |
| InChIKey | ASCWOYSFYJLLSP-PZWIHMJASA-N |
| Mol Weight | 906.8 g/mol |
| Molecular Formula | C43H52BrN7O10 |
| Exact Mass | 905.295904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15hxkzwvTfO |
|---|---|
| Name | MAJOR-CONFORMER |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52BrN7O10 |
| InChI | InChI=1S/C43H52BrN7O10/c1-23-38(53)48-31(16-17-37(45)52)42(57)49(3)32(18-25-8-12-28(59-6)13-9-25)39(54)47-24(2)41(56)51(5)34-19-26-10-14-29(15-11-26)61-36-21-27(30(44)22-35(36)60-7)20-33(40(55)46-23)50(4)43(34)58/h8-15,21-24,31-34H,16-20H2,1-7H3,(H2,45,52)(H,46,55)(H,47,54)(H,48,53)/t23-,24+,31+,32+,33+,34+/m1/s1 |
| InChIKey | ASCWOYSFYJLLSP-PZWIHMJASA-N |
| Literature Reference Author | J.E.LEE,Y.HITOTSUYANAGI,H.FUKAYA,K.KONDO,K.TAKEYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,730(2008) |
| Literature Reference DOI | 10.1248/cpb.56.730 |
| Molecular Weight | 906.831 g/mol |
| Sample ID | 1735 |
| Solvent | C5D5N |