| SpectraBase Compound ID | Iw0CQn4Lt3o |
|---|---|
| InChI | InChI=1S/C31H38O14/c1-12-9-22(39-16(5)33)25-14(3)30(37)45-27(25)24-13(2)21(10-20(12)24)43-31-29(42-19(8)36)28(41-18(7)35)26(40-17(6)34)23(44-31)11-38-15(4)32/h20-29,31H,1-3,9-11H2,4-8H3/t20?,21?,22?,23-,24?,25?,26-,27?,28+,29-,31-/m0/s1 |
| InChIKey | MDNSRAPTFQMNFT-AQOGUHCJSA-N |
| Mol Weight | 634.6 g/mol |
| Molecular Formula | C31H38O14 |
| Exact Mass | 634.226156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTW0KfhBci9 |
|---|---|
| Name | DEACYLCYANOPICRIN-3-BETA-D-GLUCOPYRANOSIDE-PENTAACETATE,CREPISIDE-E-PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O14 |
| InChI | InChI=1S/C31H38O14/c1-12-9-22(39-16(5)33)25-14(3)30(37)45-27(25)24-13(2)21(10-20(12)24)43-31-29(42-19(8)36)28(41-18(7)35)26(40-17(6)34)23(44-31)11-38-15(4)32/h20-29,31H,1-3,9-11H2,4-8H3/t20?,21?,22?,23-,24?,25?,26-,27?,28+,29-,31-/m0/s1 |
| InChIKey | MDNSRAPTFQMNFT-AQOGUHCJSA-N |
| Literature Reference Author | A.HISHAM,L.PIETERS,M.CLAEYS,R.DOMMISSE,D.VANDENBERGHE,A.VLIE TINCK |
| Literature Reference Citation | PLANTA.MED.,58,474(1992) |
| Literature Reference DOI | 10.1055/s-2006-961521 |
| Molecular Weight | 634.634 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP379 |