22-Dihydrobrassicasterol acetate structure

22-Dihydrobrassicasterol acetate

[17-(5,6-dimethylheptan-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: Campesterol acetate|22-Dihydrobrassicasterol acetate|Ergost-5-en-3-yl acetate|Ergost-5-en-3-ol, acetate, (3.beta.,24R)-|[17-(5,6-dimethylheptan-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

CAS: 4651-52-9
Molecular Formula C30H50O2
Molecular Weight 442.38107 g/mol
LogP 9.4
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 7
Exact Mass 442.38107
Monoisotopic Mass 442.38107
Heavy Atoms 32
Complexity 722.0

Chemical Identifiers

CAS Number 4651-52-9
SMILES CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChIKey JOBAYBRAHVTSSW-UHFFFAOYSA-N

Product Overview

22-Dihydrobrassicasterol acetate (CAS 4651-52-9), with molecular formula C30H50O2 and molecular weight 442.38107 g/mol. IUPAC: [17-(5,6-dimethylheptan-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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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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