| SpectraBase Compound ID | FjwjuMra4D6 |
|---|---|
| InChI | InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26?,27-,28+/m1/s1 |
| InChIKey | VWZXXWQOKCWKSB-QBWIOJKLSA-N |
| Mol Weight | 594.6 g/mol |
| Molecular Formula | C28H34O14 |
| Exact Mass | 594.194856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ddSAKhZf1u |
|---|---|
| Name | 6-O-PARA-CIS-COUMAROYL-8-O-ACETYLSHANZHISIDE-METHYLESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O14 |
| InChI | InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26?,27-,28+/m1/s1 |
| InChIKey | VWZXXWQOKCWKSB-QBWIOJKLSA-N |
| Literature Reference Author | P.TUNTIWACHWUTTIKUL,O.PANCHAROEN,W.C.TAYLOR |
| Literature Reference Citation | PHYTOCHEM.,49,163(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01049-2 |
| Molecular Weight | 594.570 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWLU44 |