| SpectraBase Compound ID | G5yPBMJZLiV |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-22,31H,8-16H2,1-7H3/t17?,18?,19?,20-,21?,22-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | WBMXMSJTGDKFQT-OZGKKXTPSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JCiyKo15DDw |
|---|---|
| Name | 3.alpha.-Hydroxy-11.alpha.,12.alpha.-epoxy-oleanan-28,13.beta.-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.339609957 u |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-22,31H,8-16H2,1-7H3/t17?,18?,19?,20-,21?,22-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | WBMXMSJTGDKFQT-OZGKKXTPSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | [C@@]123[C@@]4([C@@](O4)(C4[C@]([C@@]1(CC[C@]1(C2CC(CC1)(C)C)C(O3)=O)C)(CCC1C(C(O)CC[C@]41C)(C)C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904755 |