beta-Atlantone
6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
Also Known As: beta-Atlantone|Atlantone, beta-|(+)-beta-Atlantone|1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-|6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one|6-Methyl-2-[(R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-one|1,5-Heptadien-4-one, 6-methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-|6-methyl-2-((1R)-4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-one|6-METHYL-2-(4-METHYLCYCLOHEX-3-EN-1-YL)HEPTA-1,5-DIEN-4-ONE|6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hepta-1,5-dien-4-one|6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.16707 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.16707 |
| Monoisotopic Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 38331-79-2 |
|---|---|
| SMILES | CC1=CC[C@@H](CC1)C(=C)CC(=O)C=C(C)C |
| InChIKey | LRDZCBICVMXPBB-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Atlantone (CAS 38331-79-2), with molecular formula C15H22O and molecular weight 218.16707 g/mol. IUPAC: 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one.
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