![(25R)-3-BETA-[[O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G](/api/spectrum/2m6BQLVPDy9/structure.png?h=300&w=458 "(25R)-3-BETA-[[O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G")
| SpectraBase Compound ID | 4z5DT6omH0b |
|---|---|
| InChI | InChI=1S/C55H86O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h13,20-24,26-32,34-52,56-60,62-70H,5-12,14-19H2,1-4H3/t20-,21?,22?,23?,24?,26?,27-,28+,29?,30-,31-,32+,34?,35+,36-,37-,38-,39+,40-,41+,42+,43-,44-,45+,46+,47-,48+,49-,50+,51+,52+,53?,54?,55-/m1/s1 |
| InChIKey | BTSNKLNQWIMUMJ-XAMJMXLRSA-N |
| Mol Weight | 1179.3 g/mol |
| Molecular Formula | C55H86O27 |
| Exact Mass | 1178.535647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2m6BQLVPDy9 |
|---|---|
| Name | (25R)-3-BETA-[[O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O27 |
| InChI | InChI=1S/C55H86O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h13,20-24,26-32,34-52,56-60,62-70H,5-12,14-19H2,1-4H3/t20-,21?,22?,23?,24?,26?,27-,28+,29?,30-,31-,32+,34?,35+,36-,37-,38-,39+,40-,41+,42+,43-,44-,45+,46+,47-,48+,49-,50+,51+,52+,53?,54?,55-/m1/s1 |
| InChIKey | BTSNKLNQWIMUMJ-XAMJMXLRSA-N |
| Literature Reference Author | Y.MIMAKI,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,63,1519(2000) |
| Literature Reference DOI | 10.1021/np000230r |
| Molecular Weight | 1179.272 g/mol |
| Solvent | C5D5N:CD3OD=2:1 |
| Source File Reference | UWRU8628 |