| SpectraBase Compound ID | 3bH5e4WaU4x |
|---|---|
| InChI | InChI=1S/C35H36O15/c1-47-28-16-21(4-10-24(28)38)6-11-30(42)48-29-18-35(34(45)46,50-32(44)13-7-20-3-9-23(37)26(40)15-20)17-27(41)33(29)49-31(43)12-5-19-2-8-22(36)25(39)14-19/h2-4,6,8-11,14-16,27,29,33,36-41H,5,7,12-13,17-18H2,1H3,(H,45,46)/b11-6+/t27-,29-,33+,35-/m1/s1 |
| InChIKey | CHVRYEGIZNIRGU-IFZZGEFPSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C35H36O15 |
| Exact Mass | 696.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7Hvmt8ETXTy |
|---|---|
| Name | FERULOYLPODOSPERMIC_ACID_B;3-O-FERULOYL-1,4-DI-O-DIHYDROCAFFEOYLQUINIC_ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36O15 |
| InChI | InChI=1S/C35H36O15/c1-47-28-16-21(4-10-24(28)38)6-11-30(42)48-29-18-35(34(45)46,50-32(44)13-7-20-3-9-23(37)26(40)15-20)17-27(41)33(29)49-31(43)12-5-19-2-8-22(36)25(39)14-19/h2-4,6,8-11,14-16,27,29,33,36-41H,5,7,12-13,17-18H2,1H3,(H,45,46)/b11-6+/t27-,29-,33+,35-/m1/s1 |
| InChIKey | CHVRYEGIZNIRGU-IFZZGEFPSA-N |
| Literature Reference Author | N.TSEVEGSUREN,R.A.EDRADA,W.LIN,R.EBEL,C.TORRE,S.ORTLEPP,V.WR AY,P.PROKSCH |
| Literature Reference Citation | J.NAT.PROD.,70,962(2007) |
| Literature Reference DOI | 10.1021/np070013r |
| Molecular Weight | 696.662 g/mol |
| Sample ID | 30541 |
| Solvent | CD3OD |