3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid

(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

CAS: 547-98-8

Molecular Formula	`C27H46O5`
Molecular Weight	450.33453 g/mol
LogP	4.47
Topological Polar Surface Area	97.99 Å²
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	450.33453
Heavy Atoms	32
Complexity	695.5

Chemical Identifiers

CAS Number	547-98-8
SMILES	`C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C`

Product Overview

3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid (CAS 547-98-8), with molecular formula C27H46O5 and molecular weight 450.33453 g/mol. IUPAC: (6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid.

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