| SpectraBase Compound ID | GRgifGX38lC |
|---|---|
| InChI | InChI=1S/C32H44O9/c1-11-15(3)28(36)39-25-22-21(30(22,9)10)24(38-20(8)33)19(7)26(35)31-14-18(6)27(40-29(37)16(4)12-2)32(31,41-31)13-17(5)23(25)34/h11-13,18-19,21-25,27,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22+,23+,24+,25-,27-,31-,32-/m0/s1 |
| InChIKey | MXZPVULUCINOMS-JCBCUGBJSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C32H44O9 |
| Exact Mass | 572.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8K4HF8Gp8yk |
|---|---|
| Name | 12-O-ACETYLINGOL_3,8-DITIGLATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O9 |
| InChI | InChI=1S/C32H44O9/c1-11-15(3)28(36)39-25-22-21(30(22,9)10)24(38-20(8)33)19(7)26(35)31-14-18(6)27(40-29(37)16(4)12-2)32(31,41-31)13-17(5)23(25)34/h11-13,18-19,21-25,27,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22+,23+,24+,25-,27-,31-,32-/m0/s1 |
| InChIKey | MXZPVULUCINOMS-JCBCUGBJSA-N |
| Literature Reference Author | X.L.LI,Y.LI,S.F.WANG,Y.L.ZHAO,K.C.LIU,X.M.WANG,Y.P.YANG |
| Literature Reference Citation | J.NAT.PROD.,72,1001(2009) |
| Literature Reference DOI | 10.1021/np800816n |
| Molecular Weight | 572.696 g/mol |
| Sample ID | 32684 |
| Solvent | CDCl3 |