Nigranoic acid
(Z)-6-[8-(2-carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
Also Known As: Nigranoic acid|3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid|(Z)-6-[8-(2-Carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
CAS: 39111-07-4
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.3396 g/mol |
| LogP | 7.4936 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.3396 |
| Monoisotopic Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 903.4814 |
Chemical Identifiers
| CAS Number | 39111-07-4 |
|---|---|
| SMILES | CC(CC/C=C(/C)\C(=O)O)C1C2(C13CCC4(CCC(C4(C3CCC2)CCC(=O)O)C(=C)C)C)C |
Product Overview
Nigranoic acid (CAS 39111-07-4), with molecular formula C30H46O4 and molecular weight 470.3396 g/mol. IUPAC: (Z)-6-[8-(2-carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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