| SpectraBase Compound ID | 3tMQ1OPKVAY |
|---|---|
| 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-VIFJTDLLSA-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 | A52zMPUo9Id |
|---|---|
| Name | (4aS,6aS,6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro-1H-picen-3-one |
| CAS Registry Number | 96614-66-3 |
| 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-VIFJTDLLSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | [C@@]12(C3=C([C@]4(CCC(C([C@]4(CC3)[H])(C)C)=O)C)CC[C@]2([C@@]2(CC(C)(C)CC[C@@]2(CC1)C)[H])C)C |
| SPLASH | splash10-0a4j-2190100000-4ad88b85c718b8cf61ff |
| Source of Spectrum | AJ-58-193-30 |
| Wiley ID | 1379554 |