![TRICHOSANTHOSIDE_B;3,4-DIHYDROXY-BETA-PHENYLETHOXY-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-[BETA-D-XYLOPYRANOSYL-(1->6)]-4-O](/api/spectrum/FvLyfi7u3pC/structure.png?h=300&w=458 "TRICHOSANTHOSIDE_B;3,4-DIHYDROXY-BETA-PHENYLETHOXY-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-[BETA-D-XYLOPYRANOSYL-(1->6)]-4-O")
| SpectraBase Compound ID | 6sOVsX13621 |
|---|---|
| InChI | InChI=1S/C39H52O23/c1-15-33(61-37-30(51)27(48)23(45)13-56-37)28(49)31(52)39(58-15)62-35-32(53)38(54-9-8-17-3-6-19(41)21(43)11-17)59-24(14-57-36-29(50)26(47)22(44)12-55-36)34(35)60-25(46)7-4-16-2-5-18(40)20(42)10-16/h2-7,10-11,15,22-24,26-45,47-53H,8-9,12-14H2,1H3/b7-4+/t15-,22+,23-,24-,26-,27+,28-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38-,39-/m0/s1 |
| InChIKey | MTHJRQPZSROKGZ-AZESDONDSA-N |
| Mol Weight | 888.8 g/mol |
| Molecular Formula | C39H52O23 |
| Exact Mass | 888.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvLyfi7u3pC |
|---|---|
| Name | TRICHOSANTHOSIDE_B;3,4-DIHYDROXY-BETA-PHENYLETHOXY-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-[BETA-D-XYLOPYRANOSYL-(1->6)]-4-O |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O23 |
| InChI | InChI=1S/C39H52O23/c1-15-33(61-37-30(51)27(48)23(45)13-56-37)28(49)31(52)39(58-15)62-35-32(53)38(54-9-8-17-3-6-19(41)21(43)11-17)59-24(14-57-36-29(50)26(47)22(44)12-55-36)34(35)60-25(46)7-4-16-2-5-18(40)20(42)10-16/h2-7,10-11,15,22-24,26-45,47-53H,8-9,12-14H2,1H3/b7-4+/t15-,22+,23-,24-,26-,27+,28-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38-,39-/m0/s1 |
| InChIKey | MTHJRQPZSROKGZ-AZESDONDSA-N |
| Literature Reference Author | I.CALIS,H.KIRMIZIBEKMEZ,H.RUEEGGER,O.STICHER |
| Literature Reference Citation | J.NAT.PROD.,62,1165(1999) |
| Literature Reference DOI | 10.1021/np9900526 |
| Molecular Weight | 888.828 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ2787 |