Neoergosterol, acetate
[17-[(Z)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Neoergosterol, acetate|19-Norergosta-5,9,22-tetraen-3.beta.-ol, acetate|19-Norergosta-5,7,9,22-tetraen-3.beta.-ol, acetate|19-Norergosta-5,7,9,22-tetraen-3-ol, acetate, (3.beta.,22E)-|19-Norergosta-5,9,22-tetraen-3-ol, acetate, (3.beta.,22E)-|(22Z)-24-Methyl-19-norcholesta-5(10),6,8,22-tetraen-3-yl acetate|[17-[(Z)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C29H42O2 |
|---|---|
| Molecular Weight | 422.31848 g/mol |
| LogP | 7.0375 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.31848 |
| Monoisotopic Mass | 422.31848 |
| Heavy Atoms | 31 |
| Complexity | 850.5381 |
Chemical Identifiers
| CAS Number | 32277-79-5 |
|---|---|
| SMILES | CC(C)C(C)/C=C\C(C)C1CCC2C1(CCC3=C2C=CC4=C3CCC(C4)OC(=O)C)C |
Product Overview
Neoergosterol, acetate (CAS 32277-79-5), with molecular formula C29H42O2 and molecular weight 422.31848 g/mol. IUPAC: [17-[(Z)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate.
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