| SpectraBase Compound ID | 6Da7E9LDl64 |
|---|---|
| InChI | InChI=1S/C37H53N3O13/c1-11-20(6)29-32(45)39-25(15-18(2)3)30(43)37(9,10)36(49)52-26(16-19(4)5)34(47)50-21(7)27(35(48)51-22(8)33(46)53-29)40-31(44)23-13-12-14-24(28(23)42)38-17-41/h12-14,17-22,25-27,29,42H,11,15-16H2,1-10H3,(H,38,41)(H,39,45)(H,40,44)/t20?,21-,22+,25+,26+,27+,29+/m1/s1 |
| InChIKey | HJNZTHHOZWMVPB-WCSXKIRISA-N |
| Mol Weight | 747.8 g/mol |
| Molecular Formula | C37H53N3O13 |
| Exact Mass | 747.357839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LITVtfDI1aF |
|---|---|
| Name | RESPIRANTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H53N3O13 |
| InChI | InChI=1S/C37H53N3O13/c1-11-20(6)29-32(45)39-25(15-18(2)3)30(43)37(9,10)36(49)52-26(16-19(4)5)34(47)50-21(7)27(35(48)51-22(8)33(46)53-29)40-31(44)23-13-12-14-24(28(23)42)38-17-41/h12-14,17-22,25-27,29,42H,11,15-16H2,1-10H3,(H,38,41)(H,39,45)(H,40,44)/t20?,21-,22+,25+,26+,27+,29+/m1/s1 |
| InChIKey | HJNZTHHOZWMVPB-WCSXKIRISA-N |
| Literature Reference Author | G.R.PETTIT,R.TAN,R.K.PETTIT,T.H.SMITH,S.FENG,D.L.DOUBEK,L.RI CHERT,J.HAMBLIN,C.WE |
| Literature Reference Citation | J.NAT.PROD.,70,1069(2007) |
| Literature Reference DOI | 10.1021/np068072c |
| Molecular Weight | 747.840 g/mol |
| Sample ID | 30567 |
| Solvent | CD2Cl2 |