| SpectraBase Compound ID | 7PFGlEsn3Yk |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-16-8-11-29(33-15-16)17(2)25-23(35-29)14-28(32)21-7-6-19-12-20(34-18(3)30)9-10-26(19,4)22(21)13-24(31)27(25,28)5/h16-17,19-25,31-32H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-/m1/s1 |
| InChIKey | VRYOCMAVWBTVKY-JCEWZDBWSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C29H46O6 |
| Exact Mass | 490.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPTUwwOxC9I |
|---|---|
| Name | 3-β-O-acetyl-12-β,14-β-dihydroxy-chlorogenin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C29H46O6/c1-16-8-11-29(33-15-16)17(2)25-23(35-29)14-28(32)21-7-6-19-12-20(34-18(3)30)9-10-26(19,4)22(21)13-24(31)27(25,28)5/h16-17,19-25,31-32H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-/m1/s1 |
| InChIKey | VRYOCMAVWBTVKY-JCEWZDBWSA-N |
| Literature Reference | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR PHYTOCHEM.,24,2479(1985) |
| Solvent | Chloroform-d |