(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
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![(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b7285c4c98a84e198b774ee4f302b352.png "(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid")
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
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CAS No:
135248-38-3
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Formula:
C37H56O10
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Chemical Name:
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
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Synonyms:
yiyeliangwanoside II;135248-38-3;DTXSID00928917;3-[(3-O-Acetylpentopyranosyl)oxy]olean-12-ene-28,29-dioic acid;Olean-12-ene-28,29-dioic acid, 3-((3-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, (3beta,20alpha)-
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CAS No:
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid Basic Attributes
660.8 g/mol
660.38734798 g/mol
Computed Properties
Molecular Weight:660.8
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:660.38734798
Monoisotopic Mass:660.38734798
Topological Polar Surface Area:160
Heavy Atom Count:47
Complexity:1340
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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