| SpectraBase Compound ID | CgG4iSMhX0F |
|---|---|
| InChI | InChI=1S/C39H46O20/c1-18-32(53-20(3)41)34(54-21(4)42)37(56-23(6)44)39(52-18)59-35-33(58-31(49)12-9-24-7-10-26(45)28(47)15-24)30(17-51-19(2)40)57-38(36(35)55-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
| InChIKey | XZKKILCLQIINLY-BAQGPKHJSA-N |
| Mol Weight | 834.8 g/mol |
| Molecular Formula | C39H46O20 |
| Exact Mass | 834.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvXL8YKsjZj |
|---|---|
| Name | VERBACOSIDE-PENTAACETATE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H46O20 |
| InChI | InChI=1S/C39H46O20/c1-18-32(53-20(3)41)34(54-21(4)42)37(56-23(6)44)39(52-18)59-35-33(58-31(49)12-9-24-7-10-26(45)28(47)15-24)30(17-51-19(2)40)57-38(36(35)55-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
| InChIKey | XZKKILCLQIINLY-BAQGPKHJSA-N |
| Literature Reference Author | M.R.KERNAN,A.AMARQUAYE,J.L.CHEN,J.CHAN,D.F.SESIN,N.PARKINSON ,Z.J.YE,M.BARRETT,C. |
| Literature Reference Citation | J.NAT.PROD.,61,564(1998) |
| Literature Reference DOI | 10.1021/np9703914 |
| Molecular Weight | 834.782 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ592 |