| SpectraBase Compound ID | CmreyotJjtX |
|---|---|
| InChI | InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16+,18-,19+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | AENHXJZDACLRQM-OPAXTQKCSA-N |
| Mol Weight | 536.49 g/mol |
| Molecular Formula | C25H28O13 |
| Exact Mass | 536.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1YgLtqoTp9 |
|---|---|
| Name | 10-O-TRANS-PARA-COUMAROYLSCANDOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O13 |
| InChI | InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16+,18-,19+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | AENHXJZDACLRQM-OPAXTQKCSA-N |
| Literature Reference Author | X.Z.HUANG,Y.H.WANG,S.S.YU,G.M.FU,Y.C.HU,Y.LIU,L.H.FAN |
| Literature Reference Citation | J.NAT.PROD.,68,1646(2005) |
| Literature Reference DOI | 10.1021/np050261s |
| Molecular Weight | 536.490 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ13084 |