| SpectraBase Compound ID | 6JHCR3R1G7t |
|---|---|
| InChI | InChI=1S/C29H32O17/c1-11(31)41-8-20-22(36)23(37)25(46-28-26(38)29(39,9-30)10-42-28)27(45-20)43-13-5-14(32)21-15(33)7-18(44-19(21)6-13)12-3-16(34)24(40-2)17(35)4-12/h3-7,20,22-23,25-28,30,32,34-39H,8-10H2,1-2H3/t20-,22-,23+,25-,26+,27-,28+,29-/m1/s1 |
| InChIKey | VWXAAMROKPFVIO-WJPRWVBUSA-N |
| Mol Weight | 652.6 g/mol |
| Molecular Formula | C29H32O17 |
| Exact Mass | 652.16395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fynn8Y37vxO |
|---|---|
| Name | TRICETIN-4'-O-METHYL-7-O-(2''-O-BETA-D-APIOFURANOSYL-6''-ACETYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O17 |
| InChI | InChI=1S/C29H32O17/c1-11(31)41-8-20-22(36)23(37)25(46-28-26(38)29(39,9-30)10-42-28)27(45-20)43-13-5-14(32)21-15(33)7-18(44-19(21)6-13)12-3-16(34)24(40-2)17(35)4-12/h3-7,20,22-23,25-28,30,32,34-39H,8-10H2,1-2H3/t20-,22-,23+,25-,26+,27-,28+,29-/m1/s1 |
| InChIKey | VWXAAMROKPFVIO-WJPRWVBUSA-N |
| Literature Reference Author | E.A.ABOURASHED,N.J.TOYANG,J.CHOINSKI,I.A.KHAN |
| Literature Reference Citation | J.NAT.PROD.,62,1179(1999) |
| Literature Reference DOI | 10.1021/np990063z |
| Molecular Weight | 652.563 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | WANG1618 |