5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
-
![5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a007f798a9e84696ae72823ed6e177ae.png "5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one")
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
structure -
-
CAS No:
7004-95-7
-
Formula:
C24H32O6
-
Chemical Name:
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
-
Synonyms:
Desacetylscillirosidin;7004-95-7;BRN 0058518;3beta,6beta,8,14-Tetrahydroxybufa-4,20,22-trienolide;3-beta,6-beta,8,14-Tetrahydroxybufa-4,20,22-trienolide;DTXSID90990284;Bufa-4,20,22-trienolide, 3-beta,6-beta,8,14-tetrahydroxy-;Bufa-4,20,22-trienolide, 3beta,6beta,8,14-tetrahydroxy-;5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one;3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide
-
CAS No:
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one Basic Attributes
416.5 g/mol
416.21988874 g/mol
Computed Properties
Molecular Weight:416.5
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:416.21988874
Monoisotopic Mass:416.21988874
Topological Polar Surface Area:107
Heavy Atom Count:30
Complexity:875
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation