(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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![(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f442f54830d74d5cb22f3128162a6bb6.png "(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid")
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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CAS No:
62797-60-8
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Formula:
C24H38O3
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Chemical Name:
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
62797-60-8;3alpha-Hydroxy-5beta-chol-9(11)-en-24-oic Acid;NSC15481;(3|A,5|A)-3-hydroxychol-9(11)-en-24-oic acid;DTXSID80280101;LMST04010208;NSC-15481
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CAS No:
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
374.6 g/mol
374.28209507 g/mol
15481
DTXSID80280101
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:374.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:374.28209507
Monoisotopic Mass:374.28209507
Topological Polar Surface Area:57.5
Heavy Atom Count:27
Complexity:625
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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