![23-ACETOXY-16-BETA-HYDROXY-13,28-EPOXYOLEAN-11-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE](/api/spectrum/2XdUtOF3njy/structure.png?h=300&w=458 "23-ACETOXY-16-BETA-HYDROXY-13,28-EPOXYOLEAN-11-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE")
| SpectraBase Compound ID | AgsaP1o7kg7 |
|---|---|
| InChI | InChI=1S/C50H80O19/c1-23-32(55)39(68-41-37(60)35(58)33(56)25(19-51)65-41)40(69-42-38(61)36(59)34(57)26(20-52)66-42)43(64-23)67-31-11-12-45(5)27(46(31,6)21-62-24(2)53)9-13-47(7)28(45)10-14-50-29-17-44(3,4)15-16-49(29,22-63-50)30(54)18-48(47,50)8/h10,14,23,25-43,51-52,54-61H,9,11-13,15-22H2,1-8H3/t23-,25-,26-,27?,28?,29?,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49-,50+/m1/s1 |
| InChIKey | LYAUKTJNTZEWFN-WJHZVBMUSA-N |
| Mol Weight | 985.2 g/mol |
| Molecular Formula | C50H80O19 |
| Exact Mass | 984.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XdUtOF3njy |
|---|---|
| Name | 23-ACETOXY-16-BETA-HYDROXY-13,28-EPOXYOLEAN-11-EN-3-BETA-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O19 |
| InChI | InChI=1S/C50H80O19/c1-23-32(55)39(68-41-37(60)35(58)33(56)25(19-51)65-41)40(69-42-38(61)36(59)34(57)26(20-52)66-42)43(64-23)67-31-11-12-45(5)27(46(31,6)21-62-24(2)53)9-13-47(7)28(45)10-14-50-29-17-44(3,4)15-16-49(29,22-63-50)30(54)18-48(47,50)8/h10,14,23,25-43,51-52,54-61H,9,11-13,15-22H2,1-8H3/t23-,25-,26-,27?,28?,29?,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41+,42+,43+,45+,46+,47-,48+,49-,50+/m1/s1 |
| InChIKey | LYAUKTJNTZEWFN-WJHZVBMUSA-N |
| Literature Reference Author | L.PISTELLI,A.BERTOLI,A.R.BILIA,I.MORELLI |
| Literature Reference Citation | PHYTOCHEM.,41,1579(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00749-0 |
| Molecular Weight | 985.174 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4475 |