| SpectraBase Compound ID | KvpqtPYI7xj |
|---|---|
| InChI | InChI=1S/C29H46O12/c1-9-38-29(15-30)21(39-19(8)31)12-28(35)20(14-37-27(25(28)29)41-23(33)11-17(4)5)13-36-26(34)24(18(6)7)40-22(32)10-16(2)3/h14,16-18,21,24-25,27,30,35H,9-13,15H2,1-8H3/t21-,24?,25-,27-,28-,29-/m0/s1 |
| InChIKey | UEGSTWRRIJQNQF-CLJPYKJYSA-N |
| Mol Weight | 586.7 g/mol |
| Molecular Formula | C29H46O12 |
| Exact Mass | 586.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xz2GYhm7xh |
|---|---|
| Name | VALERIOTRIATE-A |
| Compound Number | 157 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O12 |
| InChI | InChI=1S/C29H46O12/c1-9-38-29(15-30)21(39-19(8)31)12-28(35)20(14-37-27(25(28)29)41-23(33)11-17(4)5)13-36-26(34)24(18(6)7)40-22(32)10-16(2)3/h14,16-18,21,24-25,27,30,35H,9-13,15H2,1-8H3/t21-,24?,25-,27-,28-,29-/m0/s1 |
| InChIKey | UEGSTWRRIJQNQF-CLJPYKJYSA-N |
| Literature Reference Author | B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,765(2009) |
| Literature Reference DOI | 10.1248/cpb.57.765 |
| Molecular Weight | 586.677 g/mol |
| Sample ID | 2755 |
| Solvent | ACETONE-D6 |