| SpectraBase Compound ID | 8gzuCs1jexT |
|---|---|
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
| InChIKey | SYXKKJDQNXPUSI-HDJUQUQRSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C32H44O7 |
| Exact Mass | 540.308704 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1so8RRamzMg |
|---|---|
| Name | 3-O-(2'E,4'E-decadienoyl)-20-O-acetylingenol |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H44O7 |
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
| InChIKey | SYXKKJDQNXPUSI-HDJUQUQRSA-N |
| Instrument Name | Hitachi M-80B |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0200921 |
| Molecular Weight | 540.697 g/mol |
| Optical Rotation | [a]D23 = +84.1 (c = 0.10, MeOH) |
| Reported Formula | C32H44O7 |
| SMILES | O[C@@]1(C(=C[C@@]2(C([C@@]3([C@]1([C@](C(=C3)C)(OC(\C=C\C=C\CCCCC)=O)[H])O)[C@@](C[C@@]1([C@]2(C1(C)C)[H])[H])(C)[H])=O)[H])COC(=O)C)[H] |
| SPLASH | splash10-0udi-0901000000-5b5be3368a509ffc3cbc |
| Source of Spectrum | G4-65-1250-7 |
| Wiley ID | 1883859 |