(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxochol
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(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxochol
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CAS No:
1516887-33-4
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Formula:
C26H40O4
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Chemical Name:
(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxochol
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Synonyms:
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;(E)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic acid;Obeticholic acid D;SCHEMBL17445150;MFCD28411244;ZINC139235351;ACN-040743;DS-9964;SC-96137;Cholan-24-oic acid, 6-ethylidene-3-hydroxy-7-oxo-,
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CAS No:
Computed Properties
Molecular Weight:416.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:416.29265975
Monoisotopic Mass:416.29265975
Topological Polar Surface Area:74.6
Heavy Atom Count:30
Complexity:741
Defined Atom Stereocenter Count:9
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxochol
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