5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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CAS No:
22327-82-8
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Formula:
C30H48O7
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Chemical Name:
5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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Synonyms:
Platycodigenin; Platicodigenin; 2beta,3beta,16beta,23,24-pentahydroxy-olean-12-en-28-oic acid;
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CAS No:
5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Basic Attributes
520.69800
520.34000387 g/mol
258313
2934999090
Computed Properties
Molecular Weight:520.7
XLogP3:4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:520.34000387
Monoisotopic Mass:520.34000387
Topological Polar Surface Area:138
Heavy Atom Count:37
Complexity:986
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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