| SpectraBase Compound ID | 272s5mYiPLc |
|---|---|
| InChI | InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22?,23-,24-,25+,27-,28+/m0/s1 |
| InChIKey | XMNAPEWXZUEFBD-LOGBEMJOSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C28H38O4 |
| Exact Mass | 438.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LvMAM6ScJhQ |
|---|---|
| Name | Whitasomidienone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O4 |
| InChI | InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22?,23-,24-,25+,27-,28+/m0/s1 |
| InChIKey | XMNAPEWXZUEFBD-LOGBEMJOSA-N |
| Molecular Weight | 438.608 g/mol |
| SMILES | OCC1=C(C[C@@](OC1=O)([C@](C1[C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC1)[H])C)(C)[H])[H])C |
| SPLASH | splash10-0019-6404900000-19fe3c1f21a3ce99785d |
| Source of Spectrum | X2-56-1005-2 |
| Wiley ID | 1604929 |