| SpectraBase Compound ID | 28W9eWQ8WpF |
|---|---|
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22?,23-,24?,25?,26+,27-/m1/s1 |
| InChIKey | AJWONNNXQUONDT-YHDYVNNQSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C27H40O |
| Exact Mass | 380.307916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AUks8xt28lC |
|---|---|
| Name | Dendronesterone C |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O |
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22?,23-,24?,25?,26+,27-/m1/s1 |
| InChIKey | AJWONNNXQUONDT-YHDYVNNQSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030550l |
| Molecular Weight | 380.616 g/mol |
| Optical Rotation | [a]D25 = +26 (c = 0.6, CHCl3) |
| Reported Formula | C27H40O |
| SMILES | C1=C[C@]2(C(=CC1=O)CCC1C2CC[C@]2(C1CC[C@@]2([C@](C)(\C=C\CC(C)C)[H])[H])C)C |
| SPLASH | splash10-00di-0910000000-5210f19e87d1588c2542 |
| Source of Spectrum | G4-67-1653-3 |
| Wiley ID | 1881538 |