![3-ALPHA-HYDROXY-URS-12-ENE-23,28-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/630C0zcc5bw/structure.png?h=300&w=458 "3-ALPHA-HYDROXY-URS-12-ENE-23,28-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | CGhhexydN6b |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-20-10-15-48(17-16-45(5)23(29(48)21(20)2)8-9-26-44(4)13-12-28(50)47(7,42(59)60)27(44)11-14-46(26,45)6)43(61)67-41-37(58)34(55)38(66-40-36(57)32(53)30(51)22(3)63-40)25(65-41)19-62-39-35(56)33(54)31(52)24(18-49)64-39/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39-,40-,41+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | ZDWVGKQIUBJEDN-IDQNKEGNSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 630C0zcc5bw |
|---|---|
| Name | 3-ALPHA-HYDROXY-URS-12-ENE-23,28-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-20-10-15-48(17-16-45(5)23(29(48)21(20)2)8-9-26-44(4)13-12-28(50)47(7,42(59)60)27(44)11-14-46(26,45)6)43(61)67-41-37(58)34(55)38(66-40-36(57)32(53)30(51)22(3)63-40)25(65-41)19-62-39-35(56)33(54)31(52)24(18-49)64-39/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39-,40-,41+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | ZDWVGKQIUBJEDN-IDQNKEGNSA-N |
| Literature Reference Author | T.V.SUNG,C.LAVAUD,A.PORZEL,W.STEGLICH,G.ADAM |
| Literature Reference Citation | PHYTOCHEM.,31,227(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83042-J |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU5267 |