| SpectraBase Compound ID | Cs9xzS47vBi |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(15-19(31)24-26(4,5)34-24)18-9-14-29(8)28(18,7)13-10-20-27(6)12-11-22(32)25(2,3)21(27)16-23-30(20,29)33-23/h17-21,23-24,31H,9-16H2,1-8H3/t17-,18-,19+,20?,21-,23+,24-,27+,28-,29-,30-/m0/s1 |
| InChIKey | CTMMURJXADRKDF-ORLTYANQSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTfI4QJ7t4J |
|---|---|
| Name | Dyvariabilin C |
| Appearance | White waxy solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(15-19(31)24-26(4,5)34-24)18-9-14-29(8)28(18,7)13-10-20-27(6)12-11-22(32)25(2,3)21(27)16-23-30(20,29)33-23/h17-21,23-24,31H,9-16H2,1-8H3/t17-,18-,19+,20?,21-,23+,24-,27+,28-,29-,30-/m0/s1 |
| InChIKey | CTMMURJXADRKDF-ORLTYANQSA-N |
| Instrument Name | VG-Tribrid |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0002841 |
| Molecular Weight | 472.710 g/mol |
| Optical Rotation | [a]D20 = -58 (c = 0.2, CHCl3) |
| Reported Formula | C30H48O4 |
| SMILES | O[C@](C[C@@]([C@]1([C@]2([C@@](C)([C@@]34C(CC2)[C@]2(CCC(C([C@@]2(C[C@]4(O3)[H])[H])(C)C)=O)C)CC1)C)[H])(C)[H])([C@]1(C(C)(C)O1)[H])[H] |
| SPLASH | splash10-00di-0000900000-96cb2f9f51c9384e72ff |
| Source of Spectrum | G4-64-162-3 |
| Wiley ID | 1882997 |