(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
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(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
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CAS No:
84161-89-7
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Formula:
C30H46O7
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Chemical Name:
(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
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Synonyms:
84161-89-7;DTXSID401004425;Olean-12-ene-23,28-dioic acid, 2,3,16-trihydroxy-, (2beta,3beta,4alpha,16alpha)-;2,3,16-Trihydroxyolean-12-ene-23,28-dioato
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CAS No:
(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid Basic Attributes
518.7 g/mol
518.32435380 g/mol
Computed Properties
Molecular Weight:518.7
XLogP3:5.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:518.32435380
Monoisotopic Mass:518.32435380
Topological Polar Surface Area:135
Heavy Atom Count:37
Complexity:1050
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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