Npc155187
[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: beta-Sitosterol acetate|Sitosteryl acetate|Sitosterol acetate|b-Sitosterol acetate|beta-Sitosteryl acetate|Acetyl-beta-sitosterol|.beta.-Sitosterol acetate|Acetyl-beta -sitosterol|Stigmast-5-en-3-yl acetate|beta -sitosterol acetate|beta -sitosteryl acetate|beta -stitosteryl acetate|Acetyl-.beta.-sitosterol|beta -sitosterol, acetate|.beta.-Sitosteryl acetate|beta-Sitosterol 3-acetate|Sitosterol,beta , acetate|beta -Sitosterol 3-acetate|Sitosterol,.beta., acetate|Stigmast-5-en-3-ol, acetate|3beta-Acetoxystigmast-5-ene|.beta.-Sitosterol 3-acetate|3beta -Acetoxystigmast-5-ene|24beta-Ethylcholesteryl acetate|3.beta.-Acetoxystigmast-5-ene|Npc155187|SITOSTEROL,BETA, ACETATE|Stigmast-5-en-3-yl acetate #|Stigmast-5-en-3beta-yl acetate|Stigmast-5-en-3-beta-yl acetate|Stigmast-5-en-3beta -yl acetate|Stigmast-5-en-3beta-ol, acetate|Stigmast-5-en-3.beta.-yl acetate|Stigmast-5-en-3beta -ol, acetate|Stigmast-5-en-3.beta.-ol, acetate|Stigmast-5-en-3-ol, acetate (8CI)
| Molecular Formula | C31H52O2 |
|---|---|
| Molecular Weight | 456.39673 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.39673 |
| Monoisotopic Mass | 456.39673 |
| Heavy Atoms | 33 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 915-05-9 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C |
| InChIKey | PBWOIPCULUXTNY-UHFFFAOYSA-N |
Product Overview
Npc155187 (CAS 915-05-9), with molecular formula C31H52O2 and molecular weight 456.39673 g/mol. IUPAC: [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
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