- InChI
- InChI=1S/C18H25NO5/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/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1
- InChI Key
- HKODIGSRFALUTA-IKZAEVNJSA-N
- Formula
- C18H25NO5
- SMILES
-
CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN
3CCC(OC1=O)C23 - Molecular Weight1
- 335.39
- CAS
- 480-79-5
- Other Names
-
- Inegerrimine
- Intergerrimine
- Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)-
- Senecionan-11,16-dione, 12-hydroxy-, (15E)-
- Squalidin
- Squalidine
- 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 | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.193 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Inp | [2350.00; 2402.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Inp | 2355.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Inp | 2352.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Inp | 2367.00 | NIST |
Similar Compounds
Find more compounds similar to Integerrimine.
Sources
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