| SpectraBase Compound ID | 4FqwTAC268e |
|---|---|
| InChI | InChI=1S/C44H54N4O6/c1-7-23-17-25-20-44(43(51)54-6)40-28(15-16-48(41(23)44)34(25)22-49)27-13-14-35(52-4)37(39(27)46-40)31-18-29-24(8-2)21-47(3)33(36(29)42(50)53-5)19-30-26-11-9-10-12-32(26)45-38(30)31/h9-14,22-25,29,31,33-34,36,41,45-46H,7-8,15-21H2,1-6H3/t23-,24+,25?,29?,31+,33?,34+,36-,41?,44?/m0/s1 |
| InChIKey | IPSSELBIOVSDOV-AHAFIAHHSA-N |
| Mol Weight | 734.9 g/mol |
| Molecular Formula | C44H54N4O6 |
| Exact Mass | 734.404335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NDjFqLa2eA |
|---|---|
| Name | (3'R)-TABERNAELEGANTINAL-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H54N4O6 |
| InChI | InChI=1S/C44H54N4O6/c1-7-23-17-25-20-44(43(51)54-6)40-28(15-16-48(41(23)44)34(25)22-49)27-13-14-35(52-4)37(39(27)46-40)31-18-29-24(8-2)21-47(3)33(36(29)42(50)53-5)19-30-26-11-9-10-12-32(26)45-38(30)31/h9-14,22-25,29,31,33-34,36,41,45-46H,7-8,15-21H2,1-6H3/t23-,24+,25?,29?,31+,33?,34+,36-,41?,44?/m0/s1 |
| InChIKey | IPSSELBIOVSDOV-AHAFIAHHSA-N |
| Literature Reference Author | M.GIRARDOT,A.GADEA,C.DEREGNAUCOURT,A.DEVILLE,L.DUBOST,B.NAY, A.MACIUK,P.RASOANAIV |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,2816(2012) |
| Literature Reference DOI | 10.1002/ejoc.201101738 |
| Molecular Weight | 734.936 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU84736 |