![#3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE](/api/spectrum/BzRcvZLI2D6/structure.png?h=300&w=458 "#3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE")
| SpectraBase Compound ID | 5LBLA97eZ67 |
|---|---|
| InChI | InChI=1S/C44H68O19/c1-17-7-8-44(57-15-17)18(2)30-26(63-44)10-22-20-6-5-19-9-25(23(47)12-42(19,3)21(20)11-29(49)43(22,30)4)58-40-36(55)34(53)37(28(14-46)60-40)61-41-38(33(52)32(51)27(13-45)59-41)62-39-35(54)31(50)24(48)16-56-39/h11,17-20,22-28,30-41,45-48,50-55H,5-10,12-16H2,1-4H3/t17-,18+,19+,20-,22+,23+,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+/m1/s1 |
| InChIKey | VRYJBJLYAWJDKR-AKPHGMPUSA-N |
| Mol Weight | 901.0 g/mol |
| Molecular Formula | C44H68O19 |
| Exact Mass | 900.43548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzRcvZLI2D6 |
|---|---|
| Name | #3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O19 |
| InChI | InChI=1S/C44H68O19/c1-17-7-8-44(57-15-17)18(2)30-26(63-44)10-22-20-6-5-19-9-25(23(47)12-42(19,3)21(20)11-29(49)43(22,30)4)58-40-36(55)34(53)37(28(14-46)60-40)61-41-38(33(52)32(51)27(13-45)59-41)62-39-35(54)31(50)24(48)16-56-39/h11,17-20,22-28,30-41,45-48,50-55H,5-10,12-16H2,1-4H3/t17-,18+,19+,20-,22+,23+,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+/m1/s1 |
| InChIKey | VRYJBJLYAWJDKR-AKPHGMPUSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI |
| Literature Reference Citation | PHYTOCHEM.,70,807(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.013 |
| Molecular Weight | 901.013 g/mol |
| Sample ID | 64697 |
| Solvent | C5D5N |