| SpectraBase Compound ID | DgtKZWyE3fB |
|---|---|
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(35)39-28-19(2)17-31-20(3)15-24-26(30(24,5)6)23(27(31)36)16-22(18-33)29(32(28,31)37)38-21(4)34/h11-14,16-17,20,23-24,26,28-29,33,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,28+,29-,31+,32-/m1/s1 |
| InChIKey | GKQDCRVVJYVECB-YNPTYKTESA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C32H44O7 |
| Exact Mass | 540.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fImOTq2wq8 |
|---|---|
| Name | 3-O-(2'E,4'Z-DECADIENOYL)-5-O-ACETYLINGENOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O7 |
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(35)39-28-19(2)17-31-20(3)15-24-26(30(24,5)6)23(27(31)36)16-22(18-33)29(32(28,31)37)38-21(4)34/h11-14,16-17,20,23-24,26,28-29,33,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,28+,29-,31+,32-/m1/s1 |
| InChIKey | GKQDCRVVJYVECB-YNPTYKTESA-N |
| Literature Reference Author | L.Y.WANG,N.L.WANG,X.S.YAO,S.MIYATA,S.KITANAKA |
| Literature Reference Citation | J.NAT.PROD.,65,1246(2002) |
| Literature Reference DOI | 10.1021/np0200921 |
| Molecular Weight | 540.697 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5146 |