| SpectraBase Compound ID | 4AwYH1CffVe |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-17(2)15-23(28)29-21-11-14-24(5,13-10-20(27)18(3)4)12-9-19(16-26)7-8-22-25(21,6)30-22/h9,11,14-15,20-22,26-27H,3,7-8,10,12-13,16H2,1-2,4-6H3/b14-11+,19-9+/t20?,21-,22+,24-,25+/m1/s1 |
| InChIKey | DKSGHWFSPWAVLA-SZKYJHLSSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fa3dVzuqINp |
|---|---|
| Name | Vibsanin S |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-17(2)15-23(28)29-21-11-14-24(5,13-10-20(27)18(3)4)12-9-19(16-26)7-8-22-25(21,6)30-22/h9,11,14-15,20-22,26-27H,3,7-8,10,12-13,16H2,1-2,4-6H3/b14-11+,19-9+/t20?,21-,22+,24-,25+/m1/s1 |
| InChIKey | DKSGHWFSPWAVLA-SZKYJHLSSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030447w |
| Molecular Weight | 418.574 g/mol |
| Optical Rotation | [a]D25 = +25 (c = 0.3, CHCl3) |
| Reported Formula | C25H38O5 |
| SMILES | OC\C=1CC[C@]2([C@]([C@@](\C=C\[C@@](CCC(C(=C)C)O)(CC/1)C)(OC(C=C(C)C)=O)[H])(O2)C)[H] |
| SPLASH | splash10-053r-9500000000-c05f6b24d2450d0c831b |
| Source of Spectrum | G4-67-336-4 |
| Wiley ID | 1881697 |