![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/1XF4mthITOk/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 | E5CNSWx376F |
|---|---|
| InChI | InChI=1S/C62H100O35/c1-21(19-85-55-47(81)43(77)39(73)31(14-63)89-55)5-8-36(71)87-30-12-26-24-7-6-23-11-29(27(69)13-62(23,4)25(24)9-10-61(26,3)37(30)22(2)68)88-57-49(83)45(79)51(35(18-67)93-57)94-60-54(53(42(76)34(17-66)92-60)96-56-46(80)38(72)28(70)20-86-56)97-59-50(84)52(41(75)33(16-65)91-59)95-58-48(82)44(78)40(74)32(15-64)90-58/h6,21,24-35,37-60,63-67,69-70,72-84H,5,7-20H2,1-4H3/t21-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34-,35+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50-,51-,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+/m1/s1 |
| InChIKey | ICBHBSRUQCOAJI-SHHJTXQRSA-N |
| Mol Weight | 1405.4 g/mol |
| Molecular Formula | C62H100O35 |
| Exact Mass | 1404.604515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XF4mthITOk |
|---|---|
| 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 | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H100O35 |
| InChI | InChI=1S/C62H100O35/c1-21(19-85-55-47(81)43(77)39(73)31(14-63)89-55)5-8-36(71)87-30-12-26-24-7-6-23-11-29(27(69)13-62(23,4)25(24)9-10-61(26,3)37(30)22(2)68)88-57-49(83)45(79)51(35(18-67)93-57)94-60-54(53(42(76)34(17-66)92-60)96-56-46(80)38(72)28(70)20-86-56)97-59-50(84)52(41(75)33(16-65)91-59)95-58-48(82)44(78)40(74)32(15-64)90-58/h6,21,24-35,37-60,63-67,69-70,72-84H,5,7-20H2,1-4H3/t21-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34-,35+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50-,51-,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+/m1/s1 |
| InChIKey | ICBHBSRUQCOAJI-SHHJTXQRSA-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 | 1405.455 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16513 |