| SpectraBase Compound ID | 9Lfhz9Ljp3l |
|---|---|
| InChI | InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)/t27?,28?,29-,30-,34+,35-/m0/s1 |
| InChIKey | BRWIYXLUWTZWGU-ZQOIVIONSA-N |
| Mol Weight | 703.9 g/mol |
| Molecular Formula | C40H57N5O6 |
| Exact Mass | 703.430885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7bK4wm3MDxv |
|---|---|
| Name | CARMABIN_A;MAJOR_CONFORMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H57N5O6 |
| InChI | InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)/t27?,28?,29-,30-,34+,35-/m0/s1 |
| InChIKey | BRWIYXLUWTZWGU-ZQOIVIONSA-N |
| Literature Reference Author | K.L.MCPHAIL,J.CORREA,R.G.LININGTON,J.GONZALEZ,E.ORTEGA-BARRI A,T.L.CAPSON,W.H.GER |
| Literature Reference Citation | J.NAT.PROD.,70,984(2007) |
| Literature Reference DOI | 10.1021/np0700772 |
| Molecular Weight | 703.922 g/mol |
| Sample ID | 30544 |
| Solvent | CDCl3 |