| SpectraBase Compound ID | JjnKRfC2P2r |
|---|---|
| InChI | InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | CJUXBFMESPSGKO-YKVYYFNFSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C28H46O7 |
| Exact Mass | 494.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EF5diyUvbhL |
|---|---|
| Name | CALYCULAGLYCOSIDE-D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O7 |
| InChI | InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | CJUXBFMESPSGKO-YKVYYFNFSA-N |
| Literature Reference Author | Y.P.SHI,A.D.RODRIGUEZ,O.L.PADILLA |
| Literature Reference Citation | J.NAT.PROD.,64,1439(2001) |
| Literature Reference DOI | 10.1021/np0104121 |
| Molecular Weight | 494.669 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2314 |