![RHODOLATOUSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-1,4A,5,7A-TETRAHYDRO-5-BETA-BUTOXY-7-HYDROXYMETHYL-CYClOPENTA-[C]-PYRAN-4-CARBOXYLIC-ACID](/api/spectrum/4rf1Hv2J5q0/structure.png?h=300&w=458 "RHODOLATOUSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-1,4A,5,7A-TETRAHYDRO-5-BETA-BUTOXY-7-HYDROXYMETHYL-CYClOPENTA-[C]-PYRAN-4-CARBOXYLIC-ACID")
| SpectraBase Compound ID | 4zUqkZAckzN |
|---|---|
| InChI | InChI=1S/C20H30O12/c1-2-3-4-30-20(28)5-9(6-21)12-13(20)10(17(26)27)8-29-18(12)32-19-16(25)15(24)14(23)11(7-22)31-19/h5,8,11-16,18-19,21-25,28H,2-4,6-7H2,1H3,(H,26,27)/t11-,12?,13?,14-,15+,16-,18?,19+,20+/m1/s1 |
| InChIKey | KZMTYWZAATUHQK-CJTZOYMSSA-N |
| Mol Weight | 462.45 g/mol |
| Molecular Formula | C20H30O12 |
| Exact Mass | 462.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rf1Hv2J5q0 |
|---|---|
| Name | RHODOLATOUSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-1,4A,5,7A-TETRAHYDRO-5-BETA-BUTOXY-7-HYDROXYMETHYL-CYClOPENTA-[C]-PYRAN-4-CARBOXYLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O12 |
| InChI | InChI=1S/C20H30O12/c1-2-3-4-30-20(28)5-9(6-21)12-13(20)10(17(26)27)8-29-18(12)32-19-16(25)15(24)14(23)11(7-22)31-19/h5,8,11-16,18-19,21-25,28H,2-4,6-7H2,1H3,(H,26,27)/t11-,12?,13?,14-,15+,16-,18?,19+,20+/m1/s1 |
| InChIKey | KZMTYWZAATUHQK-CJTZOYMSSA-N |
| Literature Reference Author | C.Q.FAN,W.M.ZHAO,B.Y.DING,G.W.QIN |
| Literature Reference Citation | FITOTERAPIA,72,449(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00316-6 |
| Molecular Weight | 462.451 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4039 |