(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-(2-carboxyacetyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-(2-carboxyacetyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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CAS No:
143070-05-7
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Formula:
C33H50O6
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Chemical Name:
(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-(2-carboxyacetyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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Synonyms:
ursa-12-ene-28-oic acid 3-propanedioic acid monoester;ursaoic diprop monoester;143070-05-7;Ursaoic diprop monoester;Ursa-12-ene-28-oic acid 3-propanedioic acid monoester;DTXSID60931740;3-[(Carboxyacetyl)oxy]urs-12-en-28-oic acid
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CAS No:
(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-(2-carboxyacetyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Basic Attributes
542.7 g/mol
542.36073931 g/mol
Computed Properties
Molecular Weight:542.7
XLogP3:7.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:542.36073931
Monoisotopic Mass:542.36073931
Topological Polar Surface Area:101
Heavy Atom Count:39
Complexity:1090
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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