- InChI
- InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-
- InChI Key
- BTHCJHQOYFUIMG-QCDXTXTGSA-N
- Formula
- C18H27NO5
- SMILES
-
CC=C1CC(C)C(C)(O)C(=O)OCC2CCN3
CCC(OC1=O)C23 - Molecular Weight1
- 337.41
- CAS
- 480-78-4
- Other Names
-
- Senecionan-11,16-dione, 1,2-dihydro-12-hydroxy-, (1«alpha»)-
- (1-«alpha»)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
- Platiphillin
- Platiphyllin
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 1.273 | Crippen Calculated Property | |
| McVol | 258.330 | ml/mol | McGowan Calculated Property |
| Inp | [2430.00; 2468.00] |
|
|
| Inp | 2430.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2457.00 | NIST | |
| Inp | 2468.00 | NIST |
Similar Compounds
Find more compounds similar to Platyphylline.
Sources
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