methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
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methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
structure -
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CAS No:
56085-34-8
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Formula:
C29H46O6
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Chemical Name:
methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
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Synonyms:
Methyl diacetylchenodesoxycholate;56085-34-8;Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-;Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.beta.)-;DTXSID70310365;NSC226171;MCULE-9390870362;NSC-226171;Methyl 3,7-bis(acetyloxy)cholan-24-oate;FT-0775189;Cholan-24-oic acid,7-bis(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)-
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CAS No:
methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Basic Attributes
490.7 g/mol
490.32943918 g/mol
226171
DTXSID70310365
Computed Properties
Molecular Weight:490.7
XLogP3:6.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:490.32943918
Monoisotopic Mass:490.32943918
Topological Polar Surface Area:78.9
Heavy Atom Count:35
Complexity:824
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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