![PROTOCONSTIPATIC-ACID-(18S)-18-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/6VIC6jjMxY3/structure.png?h=300&w=458 "PROTOCONSTIPATIC-ACID-(18S)-18-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | DPnHEItcMVv |
|---|---|
| InChI | InChI=1S/C45H76O25/c1-20(14-12-10-8-6-4-3-5-7-9-11-13-15-22-27(40(59)60)21(2)41(61)64-22)63-45-39(38(31(52)25(18-48)67-45)69-43-36(57)33(54)29(50)24(17-47)66-43)70-44-37(58)34(55)30(51)26(68-44)19-62-42-35(56)32(53)28(49)23(16-46)65-42/h20,22-39,42-58H,2-19H2,1H3,(H,59,60)/t20-,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,42+,43+,44-,45-/m0/s1 |
| InChIKey | VYEHLQHBYQSLEW-KZCKNAEISA-N |
| Mol Weight | 1017.1 g/mol |
| Molecular Formula | C45H76O25 |
| Exact Mass | 1016.467568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VIC6jjMxY3 |
|---|---|
| Name | PROTOCONSTIPATIC-ACID-(18S)-18-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O25 |
| InChI | InChI=1S/C45H76O25/c1-20(14-12-10-8-6-4-3-5-7-9-11-13-15-22-27(40(59)60)21(2)41(61)64-22)63-45-39(38(31(52)25(18-48)67-45)69-43-36(57)33(54)29(50)24(17-47)66-43)70-44-37(58)34(55)30(51)26(68-44)19-62-42-35(56)32(53)28(49)23(16-46)65-42/h20,22-39,42-58H,2-19H2,1H3,(H,59,60)/t20-,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,42+,43+,44-,45-/m0/s1 |
| InChIKey | VYEHLQHBYQSLEW-KZCKNAEISA-N |
| Literature Reference Author | T.REZANKA,I.A.GUSCHINA |
| Literature Reference Citation | PHYTOCHEM.,56,181(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00372-1 |
| Molecular Weight | 1017.083 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1709 |