| SpectraBase Compound ID | 8RwsWS5Vt44 |
|---|---|
| InChI | InChI=1S/C43H52N4O5/c1-22(49)25(26-15-38-42-28(17-36(44(38)3)31(26)19-48)24-10-8-9-11-34(24)46(42)5)14-29-40(51-7)13-12-35-41(29)30-18-37-33-21-52-20-32(23(2)50)27(33)16-39(45(37)4)43(30)47(35)6/h8-13,20,25-27,31,33,36-39,48H,14-19,21H2,1-7H3/t25-,26+,27+,31-,33-,36+,37+,38+,39+/m1/s1 |
| InChIKey | XQSYLLSYTKGMQA-RZVMXOKXSA-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 | 3Wq9jEyL2tF |
|---|---|
| Name | PERHENTIDINE_C |
| Compound Number | 3 |
| 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)25(26-15-38-42-28(17-36(44(38)3)31(26)19-48)24-10-8-9-11-34(24)46(42)5)14-29-40(51-7)13-12-35-41(29)30-18-37-33-21-52-20-32(23(2)50)27(33)16-39(45(37)4)43(30)47(35)6/h8-13,20,25-27,31,33,36-39,48H,14-19,21H2,1-7H3/t25-,26+,27+,31-,33-,36+,37+,38+,39+/m1/s1 |
| InChIKey | XQSYLLSYTKGMQA-RZVMXOKXSA-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 | 40447 |
| Solvent | CDCl3 |