| SpectraBase Compound ID | KkQCw3m9uUT |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26?,27+,29-,30+,31-,32-/m1/s1 |
| InChIKey | UDXDFWBZZQHDRO-OCKSAKKOSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1RLZ4GUjy4K |
|---|---|
| Name | URS-12-EN-3-YL ACETATE |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 468.396730912 u |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26?,27+,29-,30+,31-,32-/m1/s1 |
| InChIKey | UDXDFWBZZQHDRO-OCKSAKKOSA-N |
| Molecular Weight | 468.766 g/mol |
| Nominal Mass | 468 u |
| Number of Peaks | 276 |
| SMILES | C(C)(=O)OC1CC[C@@]2(C3CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)[H])(C)[H])[H])C |
| SPLASH | splash10-014i-5950100000-37bd5648470bce95f643 |
| Source File Reference | LMCM-30048-006Q |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | ACETIC ACID 4,4,6A,6B,8A,11,12,14B-OCTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-EICOSAHYDRO-PICEN-3-YL ESTER (6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate |
| Wiley ID | 8_13433 |