(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione
-
![(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bed384738d0242c49e81a1b90c68121b.png "(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione")
(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione
structure -
-
CAS No:
83159-28-8
-
Formula:
C23H32O6
-
Chemical Name:
(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione
-
Synonyms:
O-Methylepoxyshikoccin
-
CAS No:
(1aR,2S,5aR,8S,9aR,11aR)-8-(Acetyloxy)-1a,2,3,4,5a,6,7,8,9,9a,10,11-dodecahydro-11-methoxy-5a,9,9-trimethyl-13-methylene-5H-2,11a-ethanobenzo[5,6]cyclodec[1,2-b]oxirene-5,12-dione Basic Attributes
404.49658
404.22
Computed Properties
Molecular Weight:404.5
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:404.21988874
Monoisotopic Mass:404.21988874
Topological Polar Surface Area:82.2
Heavy Atom Count:29
Complexity:784
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation