| SpectraBase Compound ID | LZYVz7jGLTV |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,26-,27+,28-,29-,30+/m0/s1 |
| InChIKey | CXELEGXSGVFEND-NVTHVPAHSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5QFu2y8HGh |
|---|---|
| Name | 3-beta,12-alpha-Dihydroxy-oleanan-28,13-beta-olide;oleanderolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.355260022 u |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,26-,27+,28-,29-,30+/m0/s1 |
| InChIKey | CXELEGXSGVFEND-NVTHVPAHSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@]1(C)[C@@]2(C[C@](O)([C@]23[C@@]1(C)CC[C@@]1([C@]3(CC(CC1)(C)C)[H])C(=O)O2)[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921535 |