BRASSICASTEROL
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: BRASSICASTEROL|ergosta-5,22-dien-3-ol|Ergosta-5,22-dien-3beta-ol|17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS: 593-95-3
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35486 g/mol |
| LogP | 7.4107 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.35486 |
| Monoisotopic Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 659.225 |
Chemical Identifiers
| CAS Number | 593-95-3 |
|---|---|
| SMILES | CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
Product Overview
BRASSICASTEROL (CAS 593-95-3), with molecular formula C28H46O and molecular weight 398.35486 g/mol. IUPAC: 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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.
View MSDS →
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