| SpectraBase Compound ID | 9LQ99KioHxz |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1 |
| InChIKey | YWJGYBXHXATAQY-BOTWUFHUSA-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 | I0j1G5Ur1Jm |
|---|---|
| Name | Taraxerol acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1 |
| InChIKey | YWJGYBXHXATAQY-BOTWUFHUSA-N |
| Literature Reference DOI | 10.1002/cbic.201700572 |
| Molecular Weight | 468.766 g/mol |
| SMILES | C1C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2(C3=CC[C@@]3([C@]2(CC(CC3)(C)C)[H])C)C)[H])C)(C([C@]1(OC(C)=O)[H])(C)C)[H])C |
| SPLASH | splash10-0uyi-5893100000-ed419a1ab341b39a9a98 |
| Source of Spectrum | CBC-19-SM9-11 |
| Synonyms | (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate |
| Wiley ID | 1814200 |