[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
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![[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1093623b2cde40cfbdc6c947690dd5c7.png "[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate")
[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
structure -
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CAS No:
84965-66-2
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Formula:
C27H40O7
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Chemical Name:
[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
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Synonyms:
3 alpha,7 alpha,12 alpha-triformoxy-5 beta-cholan-24-al;3,7,12-TFCA;3,7,12-triformoxycholan-24-al;84965-66-2;3,7,12-Triformoxycholan-24-al;3,7,12-TFCA;3alpha,7alpha,12alpha-Triformoxy-5beta-cholan-24-al;DTXSID301005294;24-Oxocholane-3,7,12-triyl triformate;3alpha,7alpha,12alpha-Tri(formyloxy)-5beta-cholane-24-al
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CAS No:
[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate Basic Attributes
476.6 g/mol
476.27740361 g/mol
Computed Properties
Molecular Weight:476.6
XLogP3:5.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:476.27740361
Monoisotopic Mass:476.27740361
Topological Polar Surface Area:96
Heavy Atom Count:34
Complexity:770
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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