| SpectraBase Compound ID | 3XP9blpuMAA |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-14-20-15(27)12-18-25(5)11-8-16-23(2,3)9-7-10-24(16,4)17(25)13-19(28)26(18,6)21(20)22(29)30-14/h14-21,27-28H,7-13H2,1-6H3/t14?,15-,16?,17?,18?,19+,20+,21+,24-,25+,26+/m0/s1 |
| InChIKey | BOVSVCDCMFPWKD-RHSLEQDCSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6TudwtFmEFp |
|---|---|
| Name | 12.beta.,16.beta.-Dihydroxy-24-methyl-scalaran-25,24-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.308309828 u |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-14-20-15(27)12-18-25(5)11-8-16-23(2,3)9-7-10-24(16,4)17(25)13-19(28)26(18,6)21(20)22(29)30-14/h14-21,27-28H,7-13H2,1-6H3/t14?,15-,16?,17?,18?,19+,20+,21+,24-,25+,26+/m0/s1 |
| InChIKey | BOVSVCDCMFPWKD-RHSLEQDCSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | [C@@]12([C@]3(C(OC([C@@]3([C@](CC2[C@@]2(CCC3[C@@](C2C[C@]1(O)[H])(CCCC3(C)C)C)C)(O)[H])[H])C)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957879 |