| SpectraBase Compound ID | El23EWgIjti |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-18(2)19-11-14-27(5)20(19)12-16-29(7)22(27)9-10-23-28(6)15-13-24(32)26(3,4)25(28)21(31)17-30(23,29)8/h12,16,18,21-25,31-32H,9-11,13-15,17H2,1-8H3/t21-,22+,23+,24-,25-,27-,28?,29+,30?/m0/s1 |
| InChIKey | VUBKTAWHNLXBDM-HRWALIHHSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 16UMvnwE8jx |
|---|---|
| Name | 3.beta.,6.alpha.-Dihydroxyhop-15,17(21)-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.365430784 u |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-18(2)19-11-14-27(5)20(19)12-16-29(7)22(27)9-10-23-28(6)15-13-24(32)26(3,4)25(28)21(31)17-30(23,29)8/h12,16,18,21-25,31-32H,9-11,13-15,17H2,1-8H3/t21-,22+,23+,24-,25-,27-,28?,29+,30?/m0/s1 |
| InChIKey | VUBKTAWHNLXBDM-HRWALIHHSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | C12([C@]3([C@]([C@]4(CCC(=C4C=C3)C(C)C)C)([H])CC[C@@]1(C1(CC[C@@](C([C@@]1([C@](C2)(O)[H])[H])(C)C)(O)[H])C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919995 |