| SpectraBase Compound ID | 1hBBvyBmTL0 |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-11-12-3-6-15-17(2)10-14(19)5-4-13(17)7-8-18(15,9-12)16(11)20/h12-16,19-20H,1,3-10H2,2H3/t12?,13?,14-,15?,16+,17?,18?/m1/s1 |
| InChIKey | ABMBTLBXJLHSSN-CQALGHRCSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LrKeVA74Ok5 |
|---|---|
| Name | 4-Decarboxyatractylgenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-11-12-3-6-15-17(2)10-14(19)5-4-13(17)7-8-18(15,9-12)16(11)20/h12-16,19-20H,1,3-10H2,2H3/t12?,13?,14-,15?,16+,17?,18?/m1/s1 |
| InChIKey | ABMBTLBXJLHSSN-CQALGHRCSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | O[C@@]1(CCC2C(C3C4(CC(C([C@@]4(O)[H])=C)CC3)CC2)(C1)C)[H] |
| SPLASH | splash10-0a6u-4190000000-28c9d1a655ca6cf1b899 |
| Source of Spectrum | AT-42-8290-2 |
| Wiley ID | 855362 |