| SpectraBase Compound ID | A91MPx8AhpP |
|---|---|
| InChI | InChI=1S/C30H48O8/c1-19-10-8-11-20(2)14-16-24(15-13-19)21(3)12-9-17-30(6,7)38-29-27(34)28(36-23(5)32)26(33)25(37-29)18-35-22(4)31/h10,12,14,24-29,33-34H,8-9,11,13,15-18H2,1-7H3/b19-10-,20-14-,21-12+/t24-,25-,26+,27-,28+,29+/m0/s1 |
| InChIKey | UQBXPJSEBVIDIT-SSGQHBTRSA-N |
| Mol Weight | 536.7 g/mol |
| Molecular Formula | C30H48O8 |
| Exact Mass | 536.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXQgO1ycyQx |
|---|---|
| Name | CALYCULAGLYCOSIDE-A;3',6'-DI-O-ACETYL-BETA-D-GALACTOSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O8 |
| InChI | InChI=1S/C30H48O8/c1-19-10-8-11-20(2)14-16-24(15-13-19)21(3)12-9-17-30(6,7)38-29-27(34)28(36-23(5)32)26(33)25(37-29)18-35-22(4)31/h10,12,14,24-29,33-34H,8-9,11,13,15-18H2,1-7H3/b19-10-,20-14-,21-12+/t24-,25-,26+,27-,28+,29+/m0/s1 |
| InChIKey | UQBXPJSEBVIDIT-SSGQHBTRSA-N |
| Literature Reference Author | O.M.COBAR,A.D.RODRIGUEZ,O.L.PADILLA,J.A.SANCHEZ |
| Literature Reference Citation | J.ORG.CHEM.,62,7183(1997) |
| Literature Reference DOI | 10.1021/jo9704725 |
| Molecular Weight | 536.706 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG1907 |