| SpectraBase Compound ID | 7DF1R0GagOQ |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| InChIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Y5S1S3seti |
|---|---|
| Name | Taraxerone |
| Appearance | amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| InChIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
| Instrument Name | Kratos MS25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400048 |
| Molecular Weight | 426.729 g/mol |
| Optical Rotation | [a]D25 = +14.8 (c = 0.16, CHCl3) |
| SMILES | O[C@@]1(C([C@]2([C@](CC1)([C@@]1([C@@](CC2)(C=2[C@@](CC1)([C@]1([C@@](CC2)(CCC(C1)(C)C)C)[H])C)C)[H])C)[H])(C)C)[H] |
| SPLASH | splash10-0zgi-2792000000-b9e6e35c81f4148b19b7 |
| Source of Spectrum | G4-67-SM3-Taraxerone |
| Wiley ID | 1881807 |