| SpectraBase Compound ID | DvEUlgnje2j |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,23?,25?,26+,27-,29-,30-,31-,32+/m1/s1 |
| InChIKey | DTHUXXMWYWKQKX-QLXZDRLSSA-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 | 9I3qAGqSGG6 |
|---|---|
| Name | Bauer-7-en-3.beta.-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,23?,25?,26+,27-,29-,30-,31-,32+/m1/s1 |
| InChIKey | DTHUXXMWYWKQKX-QLXZDRLSSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | [C@]12([C@@](C3=CCC4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4(C)C)[H])C)(CC[C@@]2([C@]1([C@]([C@@](CC2)(C)[H])(C)[H])[H])C)C)C |
| SPLASH | splash10-004r-0091100000-4065e059ff8419125334 |
| Source of Spectrum | E1-40-1687-0 |
| Wiley ID | 1519560 |