Simplexin,12-(benzoyloxy)-,(12β)-
-
Simplexin,12-(benzoyloxy)-,(12β)-
structure -
-
CAS No:
60195-69-9
-
Formula:
C37H48O10
-
Chemical Name:
Simplexin,12-(benzoyloxy)-,(12β)-
-
Synonyms:
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one,10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-,(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-;Simplexin,12-(benzoyloxy)-,(12β)-;(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-10-(Benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one;Gnidilatin;6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one,10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-,[2S-(2α,3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bα,9α,10β,10aβ)]-;NSC 266489
-
CAS No:
Computed Properties
Molecular Weight:652.8
XLogP3:5.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:652.32474772
Monoisotopic Mass:652.32474772
Topological Polar Surface Area:144
Heavy Atom Count:47
Complexity:1320
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Simplexin,12-(benzoyloxy)-,(12β)-
SDSRequest for Quotation