| SpectraBase Compound ID | H77LIAn4k4N |
|---|---|
| InChI | InChI=1S/C32H44O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h13-15,19,21-22,24-27,33,36-37H,2,7-12,16H2,1,3-6H3/b14-13+/t19-,21-,22?,24-,25+,26-,27-,28+,29+,30-,31+,32+/m1/s1 |
| InChIKey | AVXALIXBAQIOEG-GYAUDVSQSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C32H44O10 |
| Exact Mass | 588.293448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAVGgOOt2bx |
|---|---|
| Name | 5-BETA-HYDROXY-RESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-2E-DECENOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O10 |
| InChI | InChI=1S/C32H44O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h13-15,19,21-22,24-27,33,36-37H,2,7-12,16H2,1,3-6H3/b14-13+/t19-,21-,22?,24-,25+,26-,27-,28+,29+,30-,31+,32+/m1/s1 |
| InChIKey | AVXALIXBAQIOEG-GYAUDVSQSA-N |
| Literature Reference Author | K.AKHTAR,S.B.KHAN,I.ALI |
| Literature Reference Citation | MAGN.RES.CHEM.,44,1063(2006) |
| Literature Reference DOI | 10.1002/mrc.1896 |
| Molecular Weight | 588.695 g/mol |
| Sample ID | 63533 |
| Solvent | CDCl3 |