![3-.beta.,6.alpha.-Diacetoxy-15.beta.,17-dihydroxy-11.beta.,16.beta.-epoxy-ent-kaurane [melissoidesins J]](/api/spectrum/DEldT90c8B1/structure.png?h=300&w=458 "3-.beta.,6.alpha.-Diacetoxy-15.beta.,17-dihydroxy-11.beta.,16.beta.-epoxy-ent-kaurane [melissoidesins J]")
| SpectraBase Compound ID | 2DsgYfw2E9c |
|---|---|
| InChI | InChI=1S/C24H36O7/c1-12(26)29-16-10-23-9-14-8-15(31-24(14,11-25)20(23)28)19(23)22(5)7-6-17(30-13(2)27)21(3,4)18(16)22/h14-20,25,28H,6-11H2,1-5H3/t14-,15-,16+,17+,18-,19+,20+,22-,23+,24+/m1/s1 |
| InChIKey | LUHCQTRIEYKIPM-MPXGJXKLSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C24H36O7 |
| Exact Mass | 436.246103 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DEldT90c8B1 |
|---|---|
| Name | 3-.beta.,6.alpha.-Diacetoxy-15.beta.,17-dihydroxy-11.beta.,16.beta.-epoxy-ent-kaurane [melissoidesins J] |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.246103492 u |
| Formula | C24H36O7 |
| InChI | InChI=1S/C24H36O7/c1-12(26)29-16-10-23-9-14-8-15(31-24(14,11-25)20(23)28)19(23)22(5)7-6-17(30-13(2)27)21(3,4)18(16)22/h14-20,25,28H,6-11H2,1-5H3/t14-,15-,16+,17+,18-,19+,20+,22-,23+,24+/m1/s1 |
| InChIKey | LUHCQTRIEYKIPM-MPXGJXKLSA-N |
| Molecular Weight | 436.545 g/mol |
| SMILES | [C@@]123[C@]([C@]4([C@](C([C@@](OC(=O)C)(CC4)[H])(C)C)([H])[C@](C1)(OC(=O)C)[H])C)([C@@]1(O[C@@]([C@]2(O)[H])(CO)[C@@](C3)(C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922915 |