| SpectraBase Compound ID | 6iocB9LllVE |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h4,16-17,19-24,28-29H,5-15H2,1-3H3/t16-,17-,19-,20+,21-,22-,23-,24-,25?,26?,27-/m0/s1 |
| InChIKey | NZQMLFKQRZBSPM-ZCWQZRFNSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 22QUKcQUYJd |
|---|---|
| Name | Isonarthogenin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.308309828 u |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h4,16-17,19-24,28-29H,5-15H2,1-3H3/t16-,17-,19-,20+,21-,22-,23-,24-,25?,26?,27-/m0/s1 |
| InChIKey | NZQMLFKQRZBSPM-ZCWQZRFNSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | [C@@]1(O)(CCC2(C(C1)=CC[C@@]1([C@@]2(CCC2([C@]1(C[C@]1([C@@]2([C@](C)([C@@]2(O1)CC[C@@](CO)(CO2)[H])[H])[H])[H])[H])C)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929904 |