| SpectraBase Compound ID | 3Wb8NBDv5ht |
|---|---|
| InChI | InChI=1S/C22H26O11/c1-30-21-13(26)5-10(20-12(25)4-9-2-3-11(24)7-14(9)31-20)6-15(21)32-22-19(29)18(28)17(27)16(8-23)33-22/h2-3,5-7,12,16-20,22-29H,4,8H2,1H3/t12-,16-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | SKDCNHZOXYIWDW-XITISMAASA-N |
| Mol Weight | 466.44 g/mol |
| Molecular Formula | C22H26O11 |
| Exact Mass | 466.147512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0n8iN6Gkz3 |
|---|---|
| Name | 4'-O-METHYLROBINETINIDOL_3'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26O11 |
| InChI | InChI=1S/C22H26O11/c1-30-21-13(26)5-10(20-12(25)4-9-2-3-11(24)7-14(9)31-20)6-15(21)32-22-19(29)18(28)17(27)16(8-23)33-22/h2-3,5-7,12,16-20,22-29H,4,8H2,1H3/t12-,16-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | SKDCNHZOXYIWDW-XITISMAASA-N |
| Literature Reference Author | R.KUSANO,S.OGAWA,Y.MATSUO,T.TANAKA,Y.YAZAKI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,74,119(2011) |
| Literature Reference DOI | 10.1021/np100372t |
| Molecular Weight | 466.442 g/mol |
| Sample ID | 37613 |
| Solvent | ACETONE-D6:D2O |