(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptam ethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-d ione
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(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptam ethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-d ione
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CAS No:
72183-90-5
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Formula:
C30H48O3
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Chemical Name:
(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptam ethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-d ione
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Synonyms:
Kokoononol;NSC603720;DTXSID30326609;D:A-Friedooleanane-3, 27-hydroxy;NSC-603720;From inner stem bark of Kokoona zeylanica Thwaites plant
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CAS No:
(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptam ethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-d ione Basic Attributes
456.70032
456.36
603720
DTXSID30326609
Computed Properties
Molecular Weight:456.7
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:54.4
Heavy Atom Count:33
Complexity:876
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptam ethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-d ione
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