| SpectraBase Compound ID | 84afB3JOzxY |
|---|---|
| InChI | InChI=1S/C35H40O16/c1-18(2)30(51-29(41)13-10-24-8-11-26(12-9-24)45-20(4)37)27-16-25(34(42)49-27)14-15-43-35-33(48-23(7)40)32(47-22(6)39)31(46-21(5)38)28(50-35)17-44-19(3)36/h8-14,27-28,30-33,35H,1,15-17H2,2-7H3/b13-10+,25-14-/t27?,28-,30?,31-,32+,33-,35-/m0/s1 |
| InChIKey | CQPVVMPZTQAZOF-FVKZXJRNSA-N |
| Mol Weight | 716.7 g/mol |
| Molecular Formula | C35H40O16 |
| Exact Mass | 716.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DH4rUQQR0TS |
|---|---|
| Name | PRUNIOSIDE-A-PERACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40O16 |
| InChI | InChI=1S/C35H40O16/c1-18(2)30(51-29(41)13-10-24-8-11-26(12-9-24)45-20(4)37)27-16-25(34(42)49-27)14-15-43-35-33(48-23(7)40)32(47-22(6)39)31(46-21(5)38)28(50-35)17-44-19(3)36/h8-14,27-28,30-33,35H,1,15-17H2,2-7H3/b13-10+,25-14-/t27?,28-,30?,31-,32+,33-,35-/m0/s1 |
| InChIKey | CQPVVMPZTQAZOF-FVKZXJRNSA-N |
| Literature Reference Author | H.OH,G.S.OH,W.G.SEO,H.O.PAE,K.Y.CHAI,T.O.KWON,Y.H.LEE,H.T.CH UNG,H.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,64,942(2001) |
| Literature Reference DOI | 10.1021/np0005513 |
| Molecular Weight | 716.693 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI1253 |