methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
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methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
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CAS No:
121880-07-7
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Formula:
C31H48O4
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Chemical Name:
methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
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Synonyms:
methyl 3-oxo-22-hydroxyolean-12-ene-29-oate;regelin D;Regelin D;121880-07-7;Methyl 3-oxo-22-hydroxyolean-12-ene-29-oate;DTXSID90924004;Methyl 22-hydroxy-3-oxoolean-12-en-29-oate;Olean-12-en-29-oic acid, 22-hydroxy-3-oxo-, methyl ester, (20alpha,22alpha)-
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CAS No:
methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate Basic Attributes
484.7 g/mol
484.35526001 g/mol
Computed Properties
Molecular Weight:484.7
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:484.35526001
Monoisotopic Mass:484.35526001
Topological Polar Surface Area:63.6
Heavy Atom Count:35
Complexity:981
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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