| SpectraBase Compound ID | DNxfwcMB8tG |
|---|---|
| InChI | InChI=1S/C31H46O4/c1-22(14-17-27-24(3)11-9-19-30(27,5)6)10-8-20-31(7)21-18-28(34-35-31)25(4)29(32)33-26-15-12-23(2)13-16-26/h10,12-13,15-16,25,28H,8-9,11,14,17-21H2,1-7H3/b22-10+/t25-,28-,31+/m0/s1 |
| InChIKey | OSJKTLIMDYEZAO-KUEPLPFISA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C31H46O4 |
| Exact Mass | 482.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HIJXgWVpuzT |
|---|---|
| Name | 2-Epimukubilin benzyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O4 |
| InChI | InChI=1S/C31H46O4/c1-22(14-17-27-24(3)11-9-19-30(27,5)6)10-8-20-31(7)21-18-28(34-35-31)25(4)29(32)33-26-15-12-23(2)13-16-26/h10,12-13,15-16,25,28H,8-9,11,14,17-21H2,1-7H3/b22-10+/t25-,28-,31+/m0/s1 |
| InChIKey | OSJKTLIMDYEZAO-KUEPLPFISA-N |
| Molecular Weight | 482.705 g/mol |
| SMILES | C([C@]([C@]1(OO[C@@](CC\C=C\(CCC2=C(CCCC2(C)C)C)C)(C)CC1)[H])(C)[H])(Oc1ccc(cc1)C)=O |
| SPLASH | splash10-0006-9100000000-9cbec4bfa014d6639bce |
| Source of Spectrum | AT-38-6288-3 |
| Wiley ID | 854046 |