- InChI
- InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5+/t16-,17-,20-/m1/s1
- InChI Key
- CTCKXBIRQMSUIU-HPNKAZLSSA-N
- Formula
- C20H25NO6
- SMILES
-
C=C1CC(=CC)C(=O)OC2CCN3CC=C(CO
C(=O)C1(C)OC(C)=O)C23 - Molecular Weight1
- 375.42
- 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 | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 1.684 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Inp | [2580.00; 2580.00] |
|
|
| Inp | 2580.00 | NIST | |
| Inp | 2580.00 | NIST |
Similar Compounds
Find more compounds similar to Spartioidine, 12-acetyl.
Sources
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