| SpectraBase Compound ID | Dd2SRYXlKiY |
|---|---|
| InChI | InChI=1S/C27H42O/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/h6,8,13,15,18-20,22-25H,7,9-12,14,16-17H2,1-5H3/b8-6+/t19-,20?,22?,23-,24?,25?,26+,27-/m1/s1 |
| InChIKey | NMNGXZAVNGFGJR-GGRNJAROSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLmywmP5hd1 |
|---|---|
| Name | Dendronesterone A |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/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/h6,8,13,15,18-20,22-25H,7,9-12,14,16-17H2,1-5H3/b8-6+/t19-,20?,22?,23-,24?,25?,26+,27-/m1/s1 |
| InChIKey | NMNGXZAVNGFGJR-GGRNJAROSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030550l |
| Molecular Weight | 382.632 g/mol |
| Optical Rotation | [a]D25 = +16 (c = 0.3, CHCl3) |
| 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 | splash10-0a4i-0931000000-299e7827412530b71a68 |
| Source of Spectrum | G4-67-1653-1 |
| Wiley ID | 1881536 |