| SpectraBase Compound ID | BJAZY3Oq4XY |
|---|---|
| InChI | InChI=1S/C30H44O15/c1-15(31)36-14-21-23(38-17(3)33)25(39-18(4)34)22(37-16(2)32)19(40-21)11-9-10-12-35-13-20-24-26(43-29(5,6)42-24)27-28(41-20)45-30(7,8)44-27/h9-10,19-28H,11-14H2,1-8H3/b10-9+/t19-,20+,21-,22+,23+,24-,25-,26-,27+,28+/m1/s1 |
| InChIKey | KGCOJWFGNNDUBQ-NDHIANRSSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C30H44O15 |
| Exact Mass | 644.268021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAHJPCpFlGU |
|---|---|
| Name | KGCOJWFGNNDUBQ-NDHIANRSSA-N |
| Compound Number | 26-TRANS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O15 |
| InChI | InChI=1S/C30H44O15/c1-15(31)36-14-21-23(38-17(3)33)25(39-18(4)34)22(37-16(2)32)19(40-21)11-9-10-12-35-13-20-24-26(43-29(5,6)42-24)27-28(41-20)45-30(7,8)44-27/h9-10,19-28H,11-14H2,1-8H3/b10-9+/t19-,20+,21-,22+,23+,24-,25-,26-,27+,28+/m1/s1 |
| InChIKey | KGCOJWFGNNDUBQ-NDHIANRSSA-N |
| Literature Reference Author | R.ROY,R.DOMINIQUE,S.K.DAS |
| Literature Reference Citation | J.ORG.CHEM.,64,5408(1999) |
| Literature Reference DOI | 10.1021/jo9900984 |
| Molecular Weight | 644.670 g/mol |
| Sample ID | 41265 |
| Solvent | CDCl3 |