| SpectraBase Compound ID | 3dMOnibQsbe |
|---|---|
| InChI | InChI=1S/C37H42N2O15/c1-8-21-23(13-27-30-24(14-28(38-27)35(45)47-7)22-11-9-10-12-26(22)39-30)25(34(44)46-6)15-49-36(21)54-37-33(52-20(5)43)32(51-19(4)42)31(50-18(3)41)29(53-37)16-48-17(2)40/h8-12,15,21,23,28-29,31-33,36-37,39H,1,13-14,16H2,2-7H3/t21-,23+,28+,29-,31-,32+,33-,36+,37+/m0/s1 |
| InChIKey | SMHYQXJSUROYPE-RAWNPWKASA-N |
| Mol Weight | 754.7 g/mol |
| Molecular Formula | C37H42N2O15 |
| Exact Mass | 754.258519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dqomyw8g1Qt |
|---|---|
| Name | SMHYQXJSUROYPE-RAWNPWKASA-N |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42N2O15 |
| InChI | InChI=1S/C37H42N2O15/c1-8-21-23(13-27-30-24(14-28(38-27)35(45)47-7)22-11-9-10-12-26(22)39-30)25(34(44)46-6)15-49-36(21)54-37-33(52-20(5)43)32(51-19(4)42)31(50-18(3)41)29(53-37)16-48-17(2)40/h8-12,15,21,23,28-29,31-33,36-37,39H,1,13-14,16H2,2-7H3/t21-,23+,28+,29-,31-,32+,33-,36+,37+/m0/s1 |
| InChIKey | SMHYQXJSUROYPE-RAWNPWKASA-N |
| Literature Reference Author | M.KITAJIMA,M.YOKOYA,H.TAKAYAMA,N.AIMI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1376(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1376 |
| Molecular Weight | 754.745 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS20089 |