| SpectraBase Compound ID | 5QQNJw18Huj |
|---|---|
| InChI | InChI=1S/C35H52O12/c1-12-23(38)45-26-18(6)14-35(42)25(26)28(46-30(40)17(4)5)34(15-43-29(39)16(2)3)22(44-19(7)36)13-21-24(32(21,9)10)27(34)33(11,31(35)41)47-20(8)37/h16-18,21-22,24-28,42H,12-15H2,1-11H3/t18-,21-,22+,24-,25?,26-,27?,28+,33-,34+,35+/m0/s1 |
| InChIKey | AUUNRGGLHLXZFP-UDOSCMEPSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C35H52O12 |
| Exact Mass | 664.345877 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J7tyeRAMI22 |
|---|---|
| Name | Premyrsinol-3-propanoate-5,17-di-isobutyrate - 7,13-Diacetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H52O12 |
| InChI | InChI=1S/C35H52O12/c1-12-23(38)45-26-18(6)14-35(42)25(26)28(46-30(40)17(4)5)34(15-43-29(39)16(2)3)22(44-19(7)36)13-21-24(32(21,9)10)27(34)33(11,31(35)41)47-20(8)37/h16-18,21-22,24-28,42H,12-15H2,1-11H3/t18-,21-,22+,24-,25?,26-,27?,28+,33-,34+,35+/m0/s1 |
| InChIKey | AUUNRGGLHLXZFP-UDOSCMEPSA-N |
| Molecular Weight | 664.789 g/mol |
| SMILES | O[C@@]12C([C@]([C@]3(C([C@]4(C(C)(C)[C@]4(C[C@]3(OC(=O)C)[H])[H])[H])[C@@](C2=O)(OC(=O)C)C)COC(=O)C(C)C)(OC(=O)C(C)C)[H])[C@]([C@@](C)(C1)[H])(OC(=O)CC)[H] |
| SPLASH | splash10-00di-9000000000-a3e2e734e5ead047c2ba |
| Source of Spectrum | G4-62-1403-4 |
| Wiley ID | 1608046 |