(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
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(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
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CAS No:
41498-80-0
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Formula:
C30H48O2
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Chemical Name:
(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
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Synonyms:
daturaolone;Daturaolone;41498-80-0;(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one;6-Hydroxyolean-12-en-3-one;CHEMBL2005473;DTXSID70961770;ZINC5762327;6.beta.-Hydroxyolean-12-en-3-one;NSC705537;NSC-705537;NCI60_037648;Olean-12-en-3-one, 6-hydroxy-, (6beta)-;(4aR,5R,6aR,6bR,8S,8aR,12aR,14aR,14bR)-5-Hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one
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CAS No:
(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one Basic Attributes
440.7 g/mol
440.365430770 g/mol
705537
Computed Properties
Molecular Weight:440.7
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:440.365430770
Monoisotopic Mass:440.365430770
Topological Polar Surface Area:37.3
Heavy Atom Count:32
Complexity:866
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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