| SpectraBase Compound ID | BJlKTapKeAF |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18?,19-,22-,23+,25-,26?,27-,28?,29+,34-,35+,36+/m0/s1 |
| InChIKey | ZFPRYBONBGSXDA-XBMSCFFFSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LseV5wUTwZV |
|---|---|
| Name | Premyrsinol-3-propanoate-5-.alpha.-methylbutyrate - 7,13-Diacetate - 17-Isobutyrate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18?,19-,22-,23+,25-,26?,27-,28?,29+,34-,35+,36+/m0/s1 |
| InChIKey | ZFPRYBONBGSXDA-XBMSCFFFSA-N |
| Molecular Weight | 678.816 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(CC)C)[H])[C@]([C@@](C)(C1)[H])(OC(=O)CC)[H] |
| SPLASH | splash10-0a4i-9000000000-557c8b9b60791651ef6b |
| Source of Spectrum | G4-62-1403-4 |
| Wiley ID | 1608047 |