| SpectraBase Compound ID | F5kniScMByO |
|---|---|
| InChI | InChI=1S/C39H55N5O9/c1-9-30-36(48)43-33(39(52)53)26(7)35(47)42-32(22(2)3)37(49)40-28(18-16-24(5)21-23(4)15-17-27-13-11-10-12-14-27)25(6)34(46)41-29(38(50)51)19-20-31(45)44(30)8/h9-14,16,18,21-23,25-26,28-29,32-33H,15,17,19-20H2,1-8H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)(H,50,51)(H,52,53)/b18-16+,24-21+,30-9-/t23-,25-,26+,28+,29-,32+,33-/m1/s1 |
| InChIKey | WXKCLYIJUVEFEZ-KGZONERHSA-N |
| Mol Weight | 737.9 g/mol |
| Molecular Formula | C39H55N5O9 |
| Exact Mass | 737.399978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KWdasuL1q3i |
|---|---|
| Name | ISOMOTUPORIN_D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H55N5O9 |
| InChI | InChI=1S/C39H55N5O9/c1-9-30-36(48)43-33(39(52)53)26(7)35(47)42-32(22(2)3)37(49)40-28(18-16-24(5)21-23(4)15-17-27-13-11-10-12-14-27)25(6)34(46)41-29(38(50)51)19-20-31(45)44(30)8/h9-14,16,18,21-23,25-26,28-29,32-33H,15,17,19-20H2,1-8H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)(H,50,51)(H,52,53)/b18-16+,24-21+,30-9-/t23-,25-,26+,28+,29-,32+,33-/m1/s1 |
| InChIKey | WXKCLYIJUVEFEZ-KGZONERHSA-N |
| Literature Reference Author | C.J.WEGERSKI,J.HAMMOND,K.TENNEY,T.MATAINAHO,P.CREWS |
| Literature Reference Citation | J.NAT.PROD.,70,89(2007) |
| Literature Reference DOI | 10.1021/np060464w |
| Molecular Weight | 737.894 g/mol |
| Sample ID | 29522 |
| Solvent | CD3OD |