| SpectraBase Compound ID | n3ffIFQwgK |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-10(2)11-8-12(21)16-15(17(11)22)13-9-14-19(3,4)6-5-7-20(14,16)18(23)24-13/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14?,20+/m0/s1 |
| InChIKey | MCMQSPNBTJWIEO-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dg1iZC7vYLL |
|---|---|
| Name | Isocarnosol |
| CAS Registry Number | 92519-82-9 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-10(2)11-8-12(21)16-15(17(11)22)13-9-14-19(3,4)6-5-7-20(14,16)18(23)24-13/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14?,20+/m0/s1 |
| InChIKey | MCMQSPNBTJWIEO-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | Oc1c2[C@@]3(CC4C(CCC[C@@]4(c2c(cc1C(C)C)O)C(O3)=O)(C)C)[H] |
| SPLASH | splash10-00kr-2390000000-d3920817077bc4446ef6 |
| Source of Spectrum | W5-1989-36159-29377 |
| Wiley ID | 1328051 |