methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
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methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
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CAS No:
84104-83-6
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Formula:
C31H50O4
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Chemical Name:
methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
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Synonyms:
methyl 3,22-dihydroxyolean-12-ene-29-oate;regelindiol B;Regelindiol B;84104-83-6;Methyl 3,22-dihydroxyolean-12-ene-29-oate;DTXSID301004389;Methyl 3,22-dihydroxyolean-12-en-29-oate;Olean-12-en-29-oic acid, 3,22-dihydroxy-, methyl ester, (3beta,20alpha,22alpha)-
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CAS No:
methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate Basic Attributes
486.7 g/mol
486.37091007 g/mol
Computed Properties
Molecular Weight:486.7
XLogP3:6.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:486.37091007
Monoisotopic Mass:486.37091007
Topological Polar Surface Area:66.8
Heavy Atom Count:35
Complexity:938
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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