| SpectraBase Compound ID | 3f6k9ERdil1 |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,15,17,21-26,32H,1,11-14,16,18-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26-,28-,29+,30+,31-/m1/s1 |
| InChIKey | WCMMZXFPTXDTOT-XJXHCWQRSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cg6dTqfJqX5 |
|---|---|
| Name | 5.beta.,19-Epoxy-119-methoxycucurbita-6,23,25-trien-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,15,17,21-26,32H,1,11-14,16,18-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26-,28-,29+,30+,31-/m1/s1 |
| InChIKey | WCMMZXFPTXDTOT-XJXHCWQRSA-N |
| Molecular Weight | 468.722 g/mol |
| SMILES | O[C@@]1(C([C@@]23[C@]([C@@]4(CC[C@]5([C@]([C@@]4(C=C3)[H])(CC[C@@]5([C@@](C\C=C\C(=C)C)(C)[H])[H])C)C)[C@@](O2)(OC)[H])(CC1)[H])(C)C)[H] |
| SPLASH | splash10-0a4i-0859700000-ef5f260cb763a862ebb1 |
| Source of Spectrum | X2-68-809-1 |
| Wiley ID | 1609560 |