| SpectraBase Compound ID | COc0tnaazrc |
|---|---|
| InChI | InChI=1S/C43H52N4O5/c1-22(49)26(27-14-39-42-30(16-36(44(39)3)32(27)19-48)25-10-8-9-11-35(25)46(42)5)12-24-13-29-31-17-37-34-21-52-20-33(23(2)50)28(34)15-40(45(37)4)43(31)47(6)38(29)18-41(24)51-7/h8-11,13,18,20,26-28,32,34,36-37,39-40,48H,12,14-17,19,21H2,1-7H3/t26-,27+,28+,32-,34-,36+,37+,39+,40+/m1/s1 |
| InChIKey | IVWWZRUIGFCZGZ-OEGDHSNVSA-N |
| Mol Weight | 704.9 g/mol |
| Molecular Formula | C43H52N4O5 |
| Exact Mass | 704.393771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBqSYc2G2h2 |
|---|---|
| Name | PERHENTININE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52N4O5 |
| InChI | InChI=1S/C43H52N4O5/c1-22(49)26(27-14-39-42-30(16-36(44(39)3)32(27)19-48)25-10-8-9-11-35(25)46(42)5)12-24-13-29-31-17-37-34-21-52-20-33(23(2)50)28(34)15-40(45(37)4)43(31)47(6)38(29)18-41(24)51-7/h8-11,13,18,20,26-28,32,34,36-37,39-40,48H,12,14-17,19,21H2,1-7H3/t26-,27+,28+,32-,34-,36+,37+,39+,40+/m1/s1 |
| InChIKey | IVWWZRUIGFCZGZ-OEGDHSNVSA-N |
| Literature Reference Author | S.H.LIM,Y.Y.LOW,S.J.TAN,K.H.LIM,N.F.THOMAS,T.S.KAM |
| Literature Reference Citation | J.NAT.PROD.,75,942(2012) |
| Literature Reference DOI | 10.1021/np300120p |
| Molecular Weight | 704.910 g/mol |
| Sample ID | 40449 |
| Solvent | CDCl3 |