1 Alpha,25-dihydroxycholesterol

(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Also Known As: 1alpha,25-Dihydroxycholesterol|1|A,25-dihydroxycholesterol|1 Alpha,25-dihydroxycholesterol|2-Methoxy-S-ethylthio-toluol|cholest-5-ene-1alpha,3beta,25-triol|1alpha,3beta,25-trihydroxycholest-5-ene|1alpha,3beta,25-trihydroxy-cholest-5-ene|Cholest-5-ene-1,3,25-triol,(1a,3b)-|Cholest-5-ene-1,3,25-triol, (1alpha,3beta)-|Cholest-5-ene-1,3,25-triol, (1.alpha.,3.beta.)-|(1R,3aS,3bS,7R,9S,9aR,9bS,11aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,9-diol|(1S,3R,8S,9S,10R,13R,14S,17R)-17-((R)-6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol|(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Molecular Formula	C27H46O3
Molecular Weight	418.3447 g/mol
LogP	5.8
Topological Polar Surface Area	60.7 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	418.3447
Monoisotopic Mass	418.3447
Heavy Atoms	30
Complexity	669.0

Chemical Identifiers

CAS Number	5451-67-2
SMILES	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChIKey	WPCGHPRVQQXAMT-FDRPCONVSA-N