| SpectraBase Compound ID | F96aK2FyFZY |
|---|---|
| InChI | InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)/t21?,22-,23+,24?,25?,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1 |
| InChIKey | YOFVOAYCIARLQE-KQOYOTHCSA-N |
| Mol Weight | 767.0 g/mol |
| Molecular Formula | C41H66O13 |
| Exact Mass | 766.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOcBd8VUc44 |
|---|---|
| Name | PITHEDULOSIDE-A;ECHINOCYSTIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O13 |
| InChI | InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)/t21?,22-,23+,24?,25?,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1 |
| InChIKey | YOFVOAYCIARLQE-KQOYOTHCSA-N |
| Literature Reference Author | S.K.NIGAM,M.GOPAL,R.UDDIN,K.YOSHIKAWA,M.KAWAMOTO,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,44,1329(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00725-X |
| Molecular Weight | 766.967 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWAN5 |