TPCN01897
![[object Object]](../../static/browser_molecular_png/TPCN01897.png)
| Name | Neo-acorane A |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.34 |
| CAS Registry Number | 2608981-60-6 |
| SMILES | CC(=O)CCC12CC(=O)OC1(C(C)C)C(=O)CC2C |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Acorus calamus | Subterraneous stems | 0.000060% | Molecules 22(4).(2017) | 10.3390/molecules22040529 |
Properties
| HBA | 4 | HBD | 0 |
| HeavyAtoms | 19 | AlogP | 2.29 |
| TPSA | 60.44 | RotatableBonds | 4 |
| FractionCSP3 | 0.80 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |