| SpectraBase Compound ID | 2huH5XSxixH |
|---|---|
| InChI | InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-23H,9-19H2,1-8H3/t22?,23?,27?,28-,29?,30+/m1/s1 |
| InChIKey | SETGEOOJKVZYTE-ZJQHXVLYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FXgv9zpIBp7 |
|---|---|
| Name | 3(2H)-Picenone, 1,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-octadecahydro-4,4,6b,8a,11,11,12b,14b-octamethyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-23H,9-19H2,1-8H3/t22?,23?,27?,28-,29?,30+/m1/s1 |
| InChIKey | SETGEOOJKVZYTE-ZJQHXVLYSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C12(C3=C([C@]4(CCC(C(C4CC3)(C)C)=O)C)CC[C@]2(C2CC(C)(C)CCC2(CC1)C)C)C |
| SPLASH | splash10-0a4l-9640000000-0b0dfa86c4b5f9bc5483 |
| Source of Spectrum | IY-1-4689-1 |
| Wiley ID | 1654874 |