| SpectraBase Compound ID | 2hte3rfSnEl |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-20-10-11-21-25(2,3)15-9-16-29(21,8)35-30(20,33)19-12-22-27(6)17-13-23(31)26(4,5)34-24(27)14-18-28(22,7)32/h12,19-22,24,32-33H,9-11,13-18H2,1-8H3/b19-12+/t20?,21?,22?,24?,27-,28+,29?,30?/m1/s1 |
| InChIKey | HYBNTAIXYWGGDJ-JBJYSCQQSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | o5D06b3U8U |
|---|---|
| Name | Dahabinone-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.365824705 u |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-20-10-11-21-25(2,3)15-9-16-29(21,8)35-30(20,33)19-12-22-27(6)17-13-23(31)26(4,5)34-24(27)14-18-28(22,7)32/h12,19-22,24,32-33H,9-11,13-18H2,1-8H3/b19-12+/t20?,21?,22?,24?,27-,28+,29?,30?/m1/s1 |
| InChIKey | HYBNTAIXYWGGDJ-JBJYSCQQSA-N |
| Molecular Weight | 490.725 g/mol |
| SMILES | C1(=O)CC[C@@]2(C)C(OC1(C)C)CC[C@@](C2\C=C\C1(C(CCC2C(CCCC2(C)C)(O1)C)C)O)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872768 |