| SpectraBase Compound ID | 4BMF52GQXcH |
|---|---|
| InChI | InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VCNKUCWWHVTTBY-KQCVGMHHSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C30H52 |
| Exact Mass | 412.406902 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E9gpDX9JnW4 |
|---|---|
| Name | (4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene |
| Alternate Name(s) | Oleanane |
| CAS Registry Number | 471-67-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52 |
| InChI | InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VCNKUCWWHVTTBY-KQCVGMHHSA-N |
| Molecular Weight | 412.746 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@@]4(CC(C)(C)CC[C@@]4(CC3)C)[H])([H])CC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H])C)C |
| SPLASH | splash10-01ox-0901200000-fcf4c1e2b75318096a82 |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 740748 |