| SpectraBase Compound ID | 46kIC0pPn3J |
|---|---|
| InChI | InChI=1S/C40H72O20/c1-5-6-12-15-22(16-13-10-8-7-9-11-14-17-24(42)43)56-39-35(29(48)26(45)20(3)54-39)60-40-36(30(49)27(46)23(18-41)57-40)59-38-33(52)31(50)34(21(4)55-38)58-37-32(51)28(47)25(44)19(2)53-37/h19-23,25-41,44-52H,5-18H2,1-4H3,(H,42,43)/t19-,20+,21-,22-,23+,25-,26+,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38-,39+,40?/m0/s1 |
| InChIKey | DGBZNFIHNGAZOG-ZLXGJNPMSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C40H72O20 |
| Exact Mass | 872.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TLuJcLMXOa |
|---|---|
| Name | #3;SCAMMONIC-ACID;(11S)-HYDROXYHEXADECANOIC-ACID-11-O-6-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-O-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-BETA-D-GUCOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H72O20 |
| InChI | InChI=1S/C40H72O20/c1-5-6-12-15-22(16-13-10-8-7-9-11-14-17-24(42)43)56-39-35(29(48)26(45)20(3)54-39)60-40-36(30(49)27(46)23(18-41)57-40)59-38-33(52)31(50)34(21(4)55-38)58-37-32(51)28(47)25(44)19(2)53-37/h19-23,25-41,44-52H,5-18H2,1-4H3,(H,42,43)/t19-,20+,21-,22-,23+,25-,26+,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38-,39+,40?/m0/s1 |
| InChIKey | DGBZNFIHNGAZOG-ZLXGJNPMSA-N |
| Literature Reference Author | N.NODA,H.KOGETSU,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,29,3565(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85277-M |
| Molecular Weight | 873.000 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26877 |