| SpectraBase Compound ID | KE67S0x07ek |
|---|---|
| InChI | InChI=1S/C35H60N12O2/c1-23(2)13-14-27-22-35(6,15-11-12-24(3)29(48)46-33(40)44-18-9-7-16-42-31(36)37)28(20-25(27)4)21-26(5)30(49)47-34(41)45-19-10-8-17-43-32(38)39/h11-13,15,20-21,27-28H,7-10,14,16-19,22H2,1-6H3,(H4,36,37,42)(H4,38,39,43)(H3,40,44,46,48)(H3,41,45,47,49)/b15-11+,24-12+,26-21+/t27-,28+,35+/m1/s1 |
| InChIKey | JNQRDCZAPQMGAQ-FDCXGNDMSA-N |
| Mol Weight | 680.9 g/mol |
| Molecular Formula | C35H60N12O2 |
| Exact Mass | 680.496219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jcm2R2hCHkL |
|---|---|
| Name | BISTELLETTADINE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H60N12O2 |
| InChI | InChI=1S/C35H60N12O2/c1-23(2)13-14-27-22-35(6,15-11-12-24(3)29(48)46-33(40)44-18-9-7-16-42-31(36)37)28(20-25(27)4)21-26(5)30(49)47-34(41)45-19-10-8-17-43-32(38)39/h11-13,15,20-21,27-28H,7-10,14,16-19,22H2,1-6H3,(H4,36,37,42)(H4,38,39,43)(H3,40,44,46,48)(H3,41,45,47,49)/b15-11+,24-12+,26-21+/t27-,28+,35+/m1/s1 |
| InChIKey | JNQRDCZAPQMGAQ-FDCXGNDMSA-N |
| Literature Reference Author | S.TSUKAMOTO,T.YAMASHITA,S.MATSUNAGA,N.FUSETANI |
| Literature Reference Citation | J.ORG.CHEM.,64,3794(1999) |
| Literature Reference DOI | 10.1021/jo9903252 |
| Molecular Weight | 680.941 g/mol |
| Sample ID | 46056 |
| Solvent | DMSO-D6 |