| SpectraBase Compound ID | Ay135bI9T9Q |
|---|---|
| InChI | InChI=1S/C39H55N5O10/c1-9-27-36(48)41-28(17-16-22(3)20-23(4)31(54-8)21-26-14-12-11-13-15-26)24(5)34(46)42-29(38(50)51)18-19-32(45)44(7)30(10-2)37(49)43-33(39(52)53)25(6)35(47)40-27/h10-17,20,23-25,27-29,31,33H,9,18-19,21H2,1-8H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)(H,50,51)(H,52,53)/b17-16+,22-20+,30-10-/t23-,24+,25-,27-,28-,29+,31-,33+/m0/s1 |
| InChIKey | CWPINJCXPNMOHW-YLCWDXDBSA-N |
| Mol Weight | 753.9 g/mol |
| Molecular Formula | C39H55N5O10 |
| Exact Mass | 753.394893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTIz9Wf8ROo |
|---|---|
| Name | ISOMOTUPORIN_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H55N5O10 |
| InChI | InChI=1S/C39H55N5O10/c1-9-27-36(48)41-28(17-16-22(3)20-23(4)31(54-8)21-26-14-12-11-13-15-26)24(5)34(46)42-29(38(50)51)18-19-32(45)44(7)30(10-2)37(49)43-33(39(52)53)25(6)35(47)40-27/h10-17,20,23-25,27-29,31,33H,9,18-19,21H2,1-8H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)(H,50,51)(H,52,53)/b17-16+,22-20+,30-10-/t23-,24+,25-,27-,28-,29+,31-,33+/m0/s1 |
| InChIKey | CWPINJCXPNMOHW-YLCWDXDBSA-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 | 753.893 g/mol |
| Sample ID | 29521 |
| Solvent | CD3OD |