| SpectraBase Compound ID | mT9wobrdoK |
|---|---|
| InChI | InChI=1S/C31H34O17/c1-11-22(36)28(44-12(2)32)29(45-13(3)33)31(43-11)42-10-20-24(38)26(40)27(41)30(48-20)47-19-9-18-21(25(39)23(19)37)16(35)8-17(46-18)14-4-6-15(34)7-5-14/h4-9,11,20,22,24,26-31,34,36-41H,10H2,1-3H3/t11-,20+,22-,24+,26-,27+,28+,29+,30+,31+/m0/s1 |
| InChIKey | SBKDMCQRDPOEID-QWRLEPBMSA-N |
| Mol Weight | 678.6 g/mol |
| Molecular Formula | C31H34O17 |
| Exact Mass | 678.1796 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KTkiGDCnR1n |
|---|---|
| Name | 5,6,4'-Trihydroxyflavone 7-O-.alpha.-L-2,3-di-O-acetylrhamnopyranosyl-(1->6)-.beta.-D-glucopyranoside |
| Appearance | Yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H34O17 |
| InChI | InChI=1S/C31H34O17/c1-11-22(36)28(44-12(2)32)29(45-13(3)33)31(43-11)42-10-20-24(38)26(40)27(41)30(48-20)47-19-9-18-21(25(39)23(19)37)16(35)8-17(46-18)14-4-6-15(34)7-5-14/h4-9,11,20,22,24,26-31,34,36-41H,10H2,1-3H3/t11-,20+,22-,24+,26-,27+,28+,29+,30+,31+/m0/s1 |
| InChIKey | SBKDMCQRDPOEID-QWRLEPBMSA-N |
| Instrument Name | JMS DX-303 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np0302908 |
| Molecular Weight | 678.596 g/mol |
| Optical Rotation | [a]D27 = -55.4 (c = 0.9, MeOH) |
| Reported Formula | C31H34O17 |
| SMILES | O[C@@]1([C@]([C@]([C@](OC[C@]2(O[C@]([C@@]([C@]([C@@]2(O)[H])(O)[H])(O)[H])(Oc2c(c(c3C(C=C(c4ccc(cc4)O)Oc3c2)=O)O)O)[H])[H])(O[C@]1(C)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])[H] |
| SPLASH | splash10-000i-4790000000-c56ddea1b80ce46f1101 |
| Source of Spectrum | G4-67-SM10-1 |
| Wiley ID | 1881701 |