![3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT](/api/spectrum/3yfq7T6pBYn/structure.png?h=300&w=458 "3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT")
| SpectraBase Compound ID | JCr4KKd0TPy |
|---|---|
| InChI | InChI=1S/C51H80O28/c1-16-29-24(70-44(16)68)9-20-18-5-4-17-8-23(21(56)10-51(17,3)19(18)6-7-50(20,29)2)71-46-38(66)35(63)40(28(14-55)75-46)76-49-43(42(33(61)27(13-54)74-49)78-45-36(64)30(58)22(57)15-69-45)79-48-39(67)41(32(60)26(12-53)73-48)77-47-37(65)34(62)31(59)25(11-52)72-47/h4,16,18-43,45-49,52-67H,5-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,45+,46-,47-,48-,49-,50-,51-/m0/s1 |
| InChIKey | VJVXEDWJFVNCJF-HOHKQRJISA-N |
| Mol Weight | 1141.2 g/mol |
| Molecular Formula | C51H80O28 |
| Exact Mass | 1140.483612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yfq7T6pBYn |
|---|---|
| Name | 3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O28 |
| InChI | InChI=1S/C51H80O28/c1-16-29-24(70-44(16)68)9-20-18-5-4-17-8-23(21(56)10-51(17,3)19(18)6-7-50(20,29)2)71-46-38(66)35(63)40(28(14-55)75-46)76-49-43(42(33(61)27(13-54)74-49)78-45-36(64)30(58)22(57)15-69-45)79-48-39(67)41(32(60)26(12-53)73-48)77-47-37(65)34(62)31(59)25(11-52)72-47/h4,16,18-43,45-49,52-67H,5-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,45+,46-,47-,48-,49-,50-,51-/m0/s1 |
| InChIKey | VJVXEDWJFVNCJF-HOHKQRJISA-N |
| Literature Reference Author | Y.MIMAKI,K.WATANABE,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,65,1863(2002) |
| Literature Reference DOI | 10.1021/np020276f |
| Molecular Weight | 1141.179 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16517 |