![CATUNAROSIDE-L;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-POMOLIC-ACID](/api/spectrum/J3DeY1CTUk0/structure.png?h=300&w=458 "CATUNAROSIDE-L;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-POMOLIC-ACID")
| SpectraBase Compound ID | 2mRfxKFjRZA |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-21-10-15-48(42(59)60)17-16-45(5)22(38(48)47(21,7)61)8-9-27-44(4)13-12-28(43(2,3)26(44)11-14-46(27,45)6)65-41-37(67-40-35(58)33(56)30(53)24(19-50)63-40)36(31(54)25(20-51)64-41)66-39-34(57)32(55)29(52)23(18-49)62-39/h8,21,23-41,49-58,61H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,44-,45+,46+,47+,48-/m0/s1 |
| InChIKey | RYSSSRJBKDOTHR-HGWOINDQSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3DeY1CTUk0 |
|---|---|
| Name | CATUNAROSIDE-L;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-POMOLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-21-10-15-48(42(59)60)17-16-45(5)22(38(48)47(21,7)61)8-9-27-44(4)13-12-28(43(2,3)26(44)11-14-46(27,45)6)65-41-37(67-40-35(58)33(56)30(53)24(19-50)63-40)36(31(54)25(20-51)64-41)66-39-34(57)32(55)29(52)23(18-49)62-39/h8,21,23-41,49-58,61H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,44-,45+,46+,47+,48-/m0/s1 |
| InChIKey | RYSSSRJBKDOTHR-HGWOINDQSA-N |
| Literature Reference Author | J.LI,X.HUANG,X.H.JIANG,Q.F.ZHU,Y.YANG,G.C.GAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,388(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00055 |
| Molecular Weight | 959.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10066 |