| SpectraBase Compound ID | 428xXTyuqN9 |
|---|---|
| InChI | InChI=1S/C43H54N4O6/c1-7-22-15-24-20-43(42(50)53-6)38-26(13-14-47(39(22)43)40(24)48)28-17-29(35(51-4)19-33(28)45-38)30-16-27-23(8-2)21-46(3)34(36(27)41(49)52-5)18-31-25-11-9-10-12-32(25)44-37(30)31/h9-12,17,19,22-24,27,30,34,36,39-40,44-45,48H,7-8,13-16,18,20-21H2,1-6H3/t22-,23-,24?,27?,30+,34?,36-,39?,40-,43?/m0/s1 |
| InChIKey | UIRGQYZUIFBYBG-XEPQUAERSA-N |
| Mol Weight | 722.9 g/mol |
| Molecular Formula | C43H54N4O6 |
| Exact Mass | 722.404335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7F6r0b6tWqI |
|---|---|
| Name | (3'R)-HYDROXY-TABERNAELEGANTINE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H54N4O6 |
| InChI | InChI=1S/C43H54N4O6/c1-7-22-15-24-20-43(42(50)53-6)38-26(13-14-47(39(22)43)40(24)48)28-17-29(35(51-4)19-33(28)45-38)30-16-27-23(8-2)21-46(3)34(36(27)41(49)52-5)18-31-25-11-9-10-12-32(25)44-37(30)31/h9-12,17,19,22-24,27,30,34,36,39-40,44-45,48H,7-8,13-16,18,20-21H2,1-6H3/t22-,23-,24?,27?,30+,34?,36-,39?,40-,43?/m0/s1 |
| InChIKey | UIRGQYZUIFBYBG-XEPQUAERSA-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 | 722.925 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU84738 |