| SpectraBase Compound ID | 9yIA12hGCmC |
|---|---|
| InChI | InChI=1S/C30H44O5/c1-26(2,34)12-8-9-17-23-21(35-25(17)33)16-30(7)19-15-20(31)24-27(3,4)22(32)11-13-28(24,5)18(19)10-14-29(23,30)6/h8,12,15,17-18,21-24,32,34H,9-11,13-14,16H2,1-7H3/b12-8+/t17-,18+,21+,22+,23-,24+,28-,29+,30-/m1/s1 |
| InChIKey | VQIWXHHPWAHGHX-SILJCLGZSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C30H44O5 |
| Exact Mass | 484.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LSCIcYhv2Vx |
|---|---|
| Name | Meliasenin C |
| Appearance | White amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O5 |
| InChI | InChI=1S/C30H44O5/c1-26(2,34)12-8-9-17-23-21(35-25(17)33)16-30(7)19-15-20(31)24-27(3,4)22(32)11-13-28(24,5)18(19)10-14-29(23,30)6/h8,12,15,17-18,21-24,32,34H,9-11,13-14,16H2,1-7H3/b12-8+/t17-,18+,21+,22+,23-,24+,28-,29+,30-/m1/s1 |
| InChIKey | VQIWXHHPWAHGHX-SILJCLGZSA-N |
| Instrument Name | Finnigan MAT-95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900835k |
| Molecular Weight | 484.677 g/mol |
| Optical Rotation | [a]D24 = -6 (c = 0.065, MeOH) |
| Reported Formula | C30H44O6 |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]5([C@@](C\C=C\C(C)(C)O)(C(O[C@]5(C[C@@]4(C3=CC([C@]2(C1(C)C)[H])=O)C)[H])=O)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-03di-4509400000-9ce520b3386f7c0cbe9c |
| Source of Spectrum | G4-73-668-10 |
| Wiley ID | 1846432 |