![CATUNAROSIDE-K;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-TORMENTIC-ACID](/api/spectrum/1PGX6MS5O7k/structure.png?h=300&w=458 "CATUNAROSIDE-K;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-TORMENTIC-ACID")
| SpectraBase Compound ID | 4yyLZDrOLT1 |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-20-10-13-48(42(60)61)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(52)38(43(2,3)26(44)11-12-46(27,45)6)68-41-36(67-40-34(59)32(57)29(54)24(18-50)64-40)35(30(55)25(19-51)65-41)66-39-33(58)31(56)28(53)23(17-49)63-39/h8,20,22-41,49-59,62H,9-19H2,1-7H3,(H,60,61)/t20-,22+,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 | HTAFLUGSTQEVRN-FZKXAPLISA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PGX6MS5O7k |
|---|---|
| Name | CATUNAROSIDE-K;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-TORMENTIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-20-10-13-48(42(60)61)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(52)38(43(2,3)26(44)11-12-46(27,45)6)68-41-36(67-40-34(59)32(57)29(54)24(18-50)64-40)35(30(55)25(19-51)65-41)66-39-33(58)31(56)28(53)23(17-49)63-39/h8,20,22-41,49-59,62H,9-19H2,1-7H3,(H,60,61)/t20-,22+,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 | HTAFLUGSTQEVRN-FZKXAPLISA-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 | 975.135 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10065 |