| SpectraBase Compound ID | Fr73TUxXSL4 |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-25(2)21-10-17-30-19-27(5)14-9-20-26(3,4)24(33-8)13-15-28(20,6)22(27)11-18-31(30,34-30)29(21,7)16-12-23(25)32/h20-24,32H,9-19H2,1-8H3/t20?,21-,22?,23+,24-,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | KXYFBHNGKKOKLF-NEOBVDIASA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 55cOzNubVmi |
|---|---|
| Name | 13.alpha.,14.alpha.-Epoxy-3.beta.-methoxy-Serratan-21.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-25(2)21-10-17-30-19-27(5)14-9-20-26(3,4)24(33-8)13-15-28(20,6)22(27)11-18-31(30,34-30)29(21,7)16-12-23(25)32/h20-24,32H,9-19H2,1-8H3/t20?,21-,22?,23+,24-,27-,28-,29-,30+,31+/m0/s1 |
| InChIKey | KXYFBHNGKKOKLF-NEOBVDIASA-N |
| Molecular Weight | 472.754 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]34[C@](C[C@@]5(CCC6[C@@](C5CC4)(CC[C@](OC)(C6(C)C)[H])C)C)(CC[C@]2(C1(C)C)[H])O3)C)[H] |
| SPLASH | splash10-0079-0920200000-03cf9a24239dfbe4ba0a |
| Source of Spectrum | G4-64-1047-3 |
| Wiley ID | 1609135 |