![TAMARIXETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4](/api/spectrum/17sx4cK7FMz/structure.png?h=300&w=458 "TAMARIXETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4")
| SpectraBase Compound ID | E0suouO6kRi |
|---|---|
| InChI | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-14(39-2)12(31)5-10/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1 |
| InChIKey | HDBLGMREZKSBMK-SPSUIZEHSA-N |
| Mol Weight | 624.5 g/mol |
| Molecular Formula | C28H32O16 |
| Exact Mass | 624.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17sx4cK7FMz |
|---|---|
| Name | TAMARIXETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O16 |
| InChI | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-14(39-2)12(31)5-10/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1 |
| InChIKey | HDBLGMREZKSBMK-SPSUIZEHSA-N |
| Literature Reference Author | B.P.D.SILVA,R.R.BERNARDO,J.P.PARENTE |
| Literature Reference Citation | PHYTOCHEM.,53,87(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00441-0 |
| Molecular Weight | 624.552 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU1586 |