| SpectraBase Compound ID | HKux9jn7WjC |
|---|---|
| InChI | InChI=1S/C37H60O9/c1-32(2)15-16-37(31(43)44-8)21(17-32)20-9-10-24-34(5)13-12-26(46-30-29(42)28(41)27(40)22(19-38)45-30)33(3,4)23(34)11-14-35(24,6)36(20,7)18-25(37)39/h9,21-30,38-42H,10-19H2,1-8H3/t21?,22-,23?,24?,25-,26+,27-,28+,29-,30+,34+,35?,36-,37-/m1/s1 |
| InChIKey | RXUUBHNHPSYHMR-DYDHROLRSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C37H60O9 |
| Exact Mass | 648.423734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GA48KyuMl7K |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O9 |
| InChI | InChI=1S/C37H60O9/c1-32(2)15-16-37(31(43)44-8)21(17-32)20-9-10-24-34(5)13-12-26(46-30-29(42)28(41)27(40)22(19-38)45-30)33(3,4)23(34)11-14-35(24,6)36(20,7)18-25(37)39/h9,21-30,38-42H,10-19H2,1-8H3/t21?,22-,23?,24?,25-,26+,27-,28+,29-,30+,34+,35?,36-,37-/m1/s1 |
| InChIKey | RXUUBHNHPSYHMR-DYDHROLRSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,K.MA,H.M.WU |
| Literature Reference Citation | J.NAT.PROD.,58,837(1995) |
| Literature Reference DOI | 10.1021/np50120a003 |
| Molecular Weight | 648.878 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP4108 |