| SpectraBase Compound ID | 4KEov8OseFR |
|---|---|
| InChI | InChI=1S/C30H32O14/c1-13-20(42-28(39)15-5-3-7-17(9-15)41-27(38)14-4-2-6-16(32)8-14)10-18-19(26(36)37)12-40-29(22(13)18)44-30-25(35)24(34)23(33)21(11-31)43-30/h2-9,12-13,18,20-25,29-35H,10-11H2,1H3,(H,36,37)/t13?,18-,20-,21+,22-,23+,24-,25+,29+,30-/m1/s1 |
| InChIKey | NEICHVDTJPKDLU-DXVRARQOSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C30H32O14 |
| Exact Mass | 616.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2eeScUQJBu |
|---|---|
| Name | SENBURISIDE_II;7-EPI-(DI-META-HYDROXYBENZOYL)-LOGANIC_ACID |
| Compound Number | 182 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H32O14 |
| InChI | InChI=1S/C30H32O14/c1-13-20(42-28(39)15-5-3-7-17(9-15)41-27(38)14-4-2-6-16(32)8-14)10-18-19(26(36)37)12-40-29(22(13)18)44-30-25(35)24(34)23(33)21(11-31)43-30/h2-9,12-13,18,20-25,29-35H,10-11H2,1H3,(H,36,37)/t13?,18-,20-,21+,22-,23+,24-,25+,29+,30-/m1/s1 |
| InChIKey | NEICHVDTJPKDLU-DXVRARQOSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 616.576 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ16165 |