| SpectraBase Compound ID | 35h3pvtxw9L |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20-12-15-28(3,4)24-18-22-10-11-26-30(7)16-14-27(34-21(2)33)29(5,6)25(30)13-17-31(26,8)32(22,9)19-23(20)24/h22-27H,1,10-19H2,2-9H3/t22-,23-,24-,25?,26?,27+,30+,31-,32-/m1/s1 |
| InChIKey | JGXPMSPITBIBHM-LMRYXJGISA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7uwlvsApgdM |
|---|---|
| Name | Ixerenyl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-28(3,4)24-18-22-10-11-26-30(7)16-14-27(34-21(2)33)29(5,6)25(30)13-17-31(26,8)32(22,9)19-23(20)24/h22-27H,1,10-19H2,2-9H3/t22-,23-,24-,25?,26?,27+,30+,31-,32-/m1/s1 |
| InChIKey | JGXPMSPITBIBHM-LMRYXJGISA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | [C@]12([C@@]3(C[C@@]4(C(CCC([C@@]4(C[C@@]3([H])CCC2[C@]2(CC[C@@](C(C2CC1)(C)C)(OC(=O)C)[H])C)[H])(C)C)=C)[H])C)C |
| SPLASH | splash10-0f79-0981300000-115a1da396e3e2aadc8c |
| Source of Spectrum | E1-43-180-1 |
| Synonyms | Ixerenol acetate |
| Wiley ID | 1552977 |