| SpectraBase Compound ID | DwVgzx0hKKc |
|---|---|
| InChI | InChI=1S/C37H58O12/c1-17-7-10-37(46-14-17)18(2)28-26(49-37)13-23-21-6-5-19-11-20(38)12-27(36(19,4)22(21)8-9-35(23,28)3)47-34-31(43)32(25(40)16-45-34)48-33-30(42)29(41)24(39)15-44-33/h5,17-18,20-34,38-43H,6-16H2,1-4H3/t17-,18+,20-,21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+/m1/s1 |
| InChIKey | PDBKQWDSKXVQCM-GXWVNAQPSA-N |
| Mol Weight | 694.9 g/mol |
| Molecular Formula | C37H58O12 |
| Exact Mass | 694.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrupmRqVw6Z |
|---|---|
| Name | ANGUDRACANOSIDE_F;(25-S)-RUSCOGENIN-1-O-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O12 |
| InChI | InChI=1S/C37H58O12/c1-17-7-10-37(46-14-17)18(2)28-26(49-37)13-23-21-6-5-19-11-20(38)12-27(36(19,4)22(21)8-9-35(23,28)3)47-34-31(43)32(25(40)16-45-34)48-33-30(42)29(41)24(39)15-44-33/h5,17-18,20-34,38-43H,6-16H2,1-4H3/t17-,18+,20-,21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+/m1/s1 |
| InChIKey | PDBKQWDSKXVQCM-GXWVNAQPSA-N |
| Literature Reference Author | M.XU,Y.J.ZHANG,X.C.LI,M.R.JACOB,C.R.YANG |
| Literature Reference Citation | J.NAT.PROD.,73,1524(2010) |
| Literature Reference DOI | 10.1021/np100351p |
| Molecular Weight | 694.860 g/mol |
| Sample ID | 36330 |
| Solvent | C5D5N |