![5-O-[BETA-D-XYLOPYRANOSYL]-7,4'-DIMETHOXY-4-PHENYLCOUMARIN](/api/spectrum/3iN9xQAep47/structure.png?h=300&w=458 "5-O-[BETA-D-XYLOPYRANOSYL]-7,4'-DIMETHOXY-4-PHENYLCOUMARIN")
| SpectraBase Compound ID | 3mOcT2aMvhW |
|---|---|
| InChI | InChI=1S/C28H32O14/c1-36-13-5-3-12(4-6-13)15-9-20(30)40-17-7-14(37-2)8-18(21(15)17)41-28-26(35)24(33)23(32)19(42-28)11-39-27-25(34)22(31)16(29)10-38-27/h3-9,16,19,22-29,31-35H,10-11H2,1-2H3/t16-,19-,22+,23+,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | JFAJUIZNHKHDGQ-ZZFFMLGNSA-N |
| Mol Weight | 592.6 g/mol |
| Molecular Formula | C28H32O14 |
| Exact Mass | 592.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iN9xQAep47 |
|---|---|
| Name | 5-O-[BETA-D-XYLOPYRANOSYL]-7,4'-DIMETHOXY-4-PHENYLCOUMARIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O14 |
| InChI | InChI=1S/C28H32O14/c1-36-13-5-3-12(4-6-13)15-9-20(30)40-17-7-14(37-2)8-18(21(15)17)41-28-26(35)24(33)23(32)19(42-28)11-39-27-25(34)22(31)16(29)10-38-27/h3-9,16,19,22-29,31-35H,10-11H2,1-2H3/t16-,19-,22+,23+,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | JFAJUIZNHKHDGQ-ZZFFMLGNSA-N |
| Literature Reference Author | S.CHRISTIANS,J.A.GUERRERO-ANALCO,A.PEREZ-VASQUEZ,F.PALACIOS- ESPINOSA,C.CIANGHERO |
| Literature Reference Citation | J.NAT.PROD.,72,408(2009) |
| Literature Reference DOI | 10.1021/np800642d |
| Molecular Weight | 592.554 g/mol |
| Sample ID | 32266 |
| Solvent | CD3OD |