| SpectraBase Compound ID | GHjDFFXc8x |
|---|---|
| InChI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3 |
| InChIKey | OFMXGFHWLZPCFL-UHFFFAOYSA-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 | GYcX8P4Ibgm |
|---|---|
| Name | Friedelan-3-one |
| CAS Registry Number | 559-74-0 |
| Classification | Triterpene |
| Comments | Spectrum verified by independent measurements in external laboratories |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3 |
| InChIKey | OFMXGFHWLZPCFL-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 426.729 g/mol |
| Nominal Mass | 426 u |
| Quality | 993 |
| Retention Index | 3448 |
| SMILES | C12(C(C3C(CC2)(CCC(C3)(C)C)C)(CCC2(C1CCC1(C2CCC(C1C)=O)C)C)C)C |
| SPLASH | splash10-05tb-5940000000-b1a89b0ae0c7d25c3775 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (4R,4aS,6aS,6aS,6bS,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-Octamethyl-\r2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Technique | GC/MS |
| Wiley ID | DD2024_024247 |