| SpectraBase Compound ID | HaumH03xtKi |
|---|---|
| InChI | InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3/t21-,22?,23-,27-,28+,29-,30-/m1/s1 |
| InChIKey | LIIFBMGUDSHTOU-GCNWHLNUSA-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 | HE12Eb6GbMx |
|---|---|
| Name | OLEAN-12-EN-3-ONE |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 424.370516165 u |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3/t21-,22?,23-,27-,28+,29-,30-/m1/s1 |
| InChIKey | LIIFBMGUDSHTOU-GCNWHLNUSA-N |
| Molecular Weight | 424.713 g/mol |
| Nominal Mass | 424 u |
| Number of Peaks | 312 |
| SMILES | C1(CC[C@@]2([C@]3(CC=C4[C@]5(CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C)[H])[H])C)=O |
| SPLASH | splash10-014i-8970000000-caafe3aff913787595b7 |
| Source File Reference | LMCM-35181-768P |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | 4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-1,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-2H-PICEN-3-ONE (6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-one |
| Wiley ID | 8_13931 |