| SpectraBase Compound ID | 5PP3Pwk2ZEN |
|---|---|
| InChI | InChI=1S/C35H36N4O15/c1-15-27(42)29(44)31(46)33(50-15)49-14-25-28(43)30(45)32(47)34(53-25)51-18-11-19(40)26-20(41)13-22(52-24(26)12-18)16-8-9-21(48-2)23(10-16)54-35-36-37-38-39(35)17-6-4-3-5-7-17/h3-13,15,25,27-34,40,42-47H,14H2,1-2H3/t15-,25+,27-,28+,29+,30-,31+,32+,33+,34+/m0/s1 |
| InChIKey | ZFSROIUMCMWDRQ-HWNBSROASA-N |
| Mol Weight | 752.7 g/mol |
| Molecular Formula | C35H36N4O15 |
| Exact Mass | 752.217716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1m0U5zegr92 |
|---|---|
| Name | 3'-O-(1-PHENYLTETRAZOL-5-YL)-DIOSMIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36N4O15 |
| InChI | InChI=1S/C35H36N4O15/c1-15-27(42)29(44)31(46)33(50-15)49-14-25-28(43)30(45)32(47)34(53-25)51-18-11-19(40)26-20(41)13-22(52-24(26)12-18)16-8-9-21(48-2)23(10-16)54-35-36-37-38-39(35)17-6-4-3-5-7-17/h3-13,15,25,27-34,40,42-47H,14H2,1-2H3/t15-,25+,27-,28+,29+,30-,31+,32+,33+,34+/m0/s1 |
| InChIKey | ZFSROIUMCMWDRQ-HWNBSROASA-N |
| Literature Reference Author | J.QUINTIN,G.LEWIN |
| Literature Reference Citation | J.NAT.PROD.,67,1624(2004) |
| Literature Reference DOI | 10.1021/np040079b |
| Molecular Weight | 752.689 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8156 |