| SpectraBase Compound ID | BYEhIliRwiN |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChIKey | MHGLNDDJLDJDBG-GSYFYXRESA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FF09Mw45pkP |
|---|---|
| Name | Cycloart-25-ene-3.beta.,24-diol |
| Appearance | Amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChIKey | MHGLNDDJLDJDBG-GSYFYXRESA-N |
| Instrument Name | Kratos MS25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np060046r |
| Molecular Weight | 442.728 g/mol |
| Optical Rotation | [a]D25 = +47.0 (c = 0.1, CHCl3) |
| SMILES | OC(CC[C@]([C@@]1([C@@]2([C@]([C@]3([C@]4([C@@]5([C@](C([C@](CC5)(O)[H])(C)C)(CC3)[H])C4)CC2)[H])(CC1)C)C)[H])(C)[H])C(C)=C |
| SPLASH | splash10-00dl-9301100000-1e4f467515e2ab254e1d |
| Source of Spectrum | G4-69-SM5-5-3 |
| Wiley ID | 1874186 |