Benzyl ursolate
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Benzyl ursolate
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CAS No:
192211-41-9
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Formula:
C37H54O3
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Chemical Name:
Benzyl ursolate
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Synonyms:
Benzyl ursolate;UNII-G6IKF0I8B4;G6IKF0I8B4;SCHEMBL9891363;DTXSID30172800;211B419;Q27278843;(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-benzyl 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-a-carboxylate;benzyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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-carboxylate
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CAS No:
Computed Properties
Molecular Weight:546.8
XLogP3:9.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:546.40729558
Monoisotopic Mass:546.40729558
Topological Polar Surface Area:46.5
Heavy Atom Count:40
Complexity:1020
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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