5,7,22-Cholestatrien-3beta-ol structure

5,7,22-Cholestatrien-3beta-ol

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Also Known As: 5,7,22-Cholestatrien-3beta-ol|7,22-Bisdehydrocholesterol|Cholesta-5,7,22-trien-3beta-ol|delta-5,7,22-Cholestatrien-3beta-ol|7,8,22,23-Tetradehydrocholesterol|(22E)-Cholesta-5,7,22-trien-3beta-ol|Cholesta-5,7,22-trien-3-ol, (3beta)-|24-Demethylergosta-5,7,22-triene-3beta-ol|(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylhept-3-en-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,3E)-6-methylhept-3-en-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((E,2R)-6-methylhept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol

CAS: 19633-95-5
Molecular Formula C27H42O
Molecular Weight 382.32358 g/mol
LogP 7.0848
Topological Polar Surface Area 20.23 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 4
Exact Mass 382.32358
Monoisotopic Mass 382.32358
Heavy Atoms 28
Complexity 682.37585

Chemical Identifiers

CAS Number 19633-95-5
SMILES C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Product Overview

5,7,22-Cholestatrien-3beta-ol (CAS 19633-95-5), with molecular formula C27H42O and molecular weight 382.32358 g/mol. IUPAC: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

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