| SpectraBase Compound ID | CAATHITzgDv |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1 |
| InChIKey | ZCZKJKIOPWIFME-XWMBFTBISA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ddBGDtIWvD |
|---|---|
| Name | Vibsanin T |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1 |
| InChIKey | ZCZKJKIOPWIFME-XWMBFTBISA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030447w |
| Molecular Weight | 416.558 g/mol |
| Optical Rotation | [a]D25 = +46 (c = 0.4, CHCl3) |
| Reported Formula | C25H36O5 |
| SMILES | OC(\C=C\C[C@@]1(\C=C\[C@]([C@]2([C@](CC\C(=C/C1)C=O)(O2)[H])C)(OC(C=C(C)C)=O)[H])C)(C)C |
| SPLASH | splash10-001i-9110000000-2ae4ee65f6dedcbb51d0 |
| Source of Spectrum | G4-67-336-5 |
| Wiley ID | 1881698 |