| SpectraBase Compound ID | IlQYiSdjsH4 |
|---|---|
| InChI | InChI=1S/C33H38O16/c1-16(34)40-13-22-24(42-17(2)35)25(43-18(3)36)26(44-19(4)37)28(45-22)47-33-12-23-31(33,15-41-27(39)21-10-8-7-9-11-21)29-48-30(33,6)14-32(23,49-29)46-20(5)38/h7-11,22-26,28-29H,12-15H2,1-6H3/t22-,23-,24-,25+,26-,28+,29?,30-,31-,32+,33-/m0/s1 |
| InChIKey | KGAUAENBWDRVTI-KMSXNHQDSA-N |
| Mol Weight | 690.7 g/mol |
| Molecular Formula | C33H38O16 |
| Exact Mass | 690.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2C6wjwYBYHJ |
|---|---|
| Name | PAEONIFLORIN-PERACETYLATED |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O16 |
| InChI | InChI=1S/C33H38O16/c1-16(34)40-13-22-24(42-17(2)35)25(43-18(3)36)26(44-19(4)37)28(45-22)47-33-12-23-31(33,15-41-27(39)21-10-8-7-9-11-21)29-48-30(33,6)14-32(23,49-29)46-20(5)38/h7-11,22-26,28-29H,12-15H2,1-6H3/t22-,23-,24-,25+,26-,28+,29?,30-,31-,32+,33-/m0/s1 |
| InChIKey | KGAUAENBWDRVTI-KMSXNHQDSA-N |
| Literature Reference Author | J.LEMMICH |
| Literature Reference Citation | PHYTOCHEM.,41,1337(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00793-8 |
| Molecular Weight | 690.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4371 |