| SpectraBase Compound ID | If22zU6Vv44 |
|---|---|
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h13,15,18,20-21,23-26H,3,7-12,14,16-17H2,1-2,4-6H3/t20-,21?,23?,24-,25?,26?,27+,28-/m1/s1 |
| InChIKey | KPTGMDRVLSGBME-WRLYYDHKSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IYxmpR8oySn |
|---|---|
| Name | Dendronesterone B |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h13,15,18,20-21,23-26H,3,7-12,14,16-17H2,1-2,4-6H3/t20-,21?,23?,24-,25?,26?,27+,28-/m1/s1 |
| InChIKey | KPTGMDRVLSGBME-WRLYYDHKSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030550l |
| Molecular Weight | 396.659 g/mol |
| Optical Rotation | [a]D25 = +18 (c = 0.1, CHCl3) |
| Reported Formula | C28H44O |
| SMILES | C1=C[C@]2(C(CC1=O)CCC1C2CC[C@]2(C1CC[C@@]2([C@](C)(CCC(C(C)C)=C)[H])[H])C)C |
| SPLASH | splash10-00di-0935000000-5988c1402ff907064132 |
| Source of Spectrum | G4-67-1653-2 |
| Wiley ID | 1881537 |