| SpectraBase Compound ID | 7WTqKIfPMy9 |
|---|---|
| InChI | InChI=1S/C29H47N5O/c1-21(2)33-28-26(27(30-8)31-19-32-28)34(20-35)18-16-23(4)12-9-11-22(3)15-17-29(7)24(5)13-10-14-25(29)6/h11,13,16,19-21,25H,9-10,12,14-15,17-18H2,1-8H3,(H2,30,31,32,33)/b22-11+,23-16+/t25-,29-/m0/s1 |
| InChIKey | JTHIQBCVJBQEBJ-KLNODRGRSA-N |
| Mol Weight | 481.7 g/mol |
| Molecular Formula | C29H47N5O |
| Exact Mass | 481.378061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H62S9WFMT7C |
|---|---|
| Name | AXISTATIN_3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H47N5O |
| InChI | InChI=1S/C29H47N5O/c1-21(2)33-28-26(27(30-8)31-19-32-28)34(20-35)18-16-23(4)12-9-11-22(3)15-17-29(7)24(5)13-10-14-25(29)6/h11,13,16,19-21,25H,9-10,12,14-15,17-18H2,1-8H3,(H2,30,31,32,33)/b22-11+,23-16+/t25-,29-/m0/s1 |
| InChIKey | JTHIQBCVJBQEBJ-KLNODRGRSA-N |
| Literature Reference Author | G.R.PETTIT,Y.TANG,Q.ZHANG,G.T.BOURNE,C.A.ARM,J.E.LEET,J.C.KN IGHT,R.K.PETTIT,J.C. |
| Literature Reference Citation | J.NAT.PROD.,76,420(2013) |
| Literature Reference DOI | 10.1021/np300828y |
| Molecular Weight | 481.725 g/mol |
| Sample ID | 42298 |
| Solvent | CDCl3 |