| SpectraBase Compound ID | 78L1g5JKJki |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m0/s1 |
| InChIKey | NLVMTSRTOGOFQD-OBEVQLELSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6vMLEiJdfme |
|---|---|
| Name | (+)-Kolavenic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m0/s1 |
| InChIKey | NLVMTSRTOGOFQD-OBEVQLELSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | OC(\C=C\(CC[C@]1([C@]2([C@@](C(=CCC2)C)(CC[C@@]1(C)[H])C)[H])C)C)=O |
| SPLASH | splash10-0a4i-0951000000-44e474a3db10aabbcb76 |
| Source of Spectrum | E1-42-1206-2 |
| Wiley ID | 1552637 |