| SpectraBase Compound ID | 9iLxrx2865s |
|---|---|
| InChI | InChI=1S/C30H44O4/c1-18(2)9-8-10-19(3)20-11-14-28-24(32)34-29(16-15-26(20,28)6)27(7)13-12-22(31)25(4,5)21(27)17-23-30(28,29)33-23/h9,19-21,23H,8,10-17H2,1-7H3/t19-,20-,21+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | ULZHQBWERNNIDK-TXCRTMEKSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C30H44O4 |
| Exact Mass | 468.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 61E2EGKcdzE |
|---|---|
| Name | 3-Oxo-7.beta.,8.beta.-epoxy-5.alpha.-lanost-24-en-30,9.alpha.-olide |
| Appearance | Pale yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O4 |
| InChI | InChI=1S/C30H44O4/c1-18(2)9-8-10-19(3)20-11-14-28-24(32)34-29(16-15-26(20,28)6)27(7)13-12-22(31)25(4,5)21(27)17-23-30(28,29)33-23/h9,19-21,23H,8,10-17H2,1-7H3/t19-,20-,21+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | ULZHQBWERNNIDK-TXCRTMEKSA-N |
| Instrument Name | AMD-604 S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400388x |
| Molecular Weight | 468.678 g/mol |
| Optical Rotation | [a]D27 =-45.8 (c = 0.65, CHCl3) |
| Reported Formula | C30H44O4 |
| SMILES | C1C[C@]2([C@](C(C1=O)(C)C)(C[C@]1([C@@]3([C@]22CC[C@]4([C@]3(CC[C@@]4([C@@](CCC=C(C)C)(C)[H])[H])C(O2)=O)C)O1)[H])[H])C |
| SPLASH | splash10-0apl-9102100000-9501b3f6e8f14bc840c9 |
| Source of Spectrum | G4-76-1751-1 |
| Wiley ID | 1865768 |