(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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![(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1a28a8b86b65413f9663ff5acc561ee6.png "(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid")
(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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CAS No:
88034-27-9
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Formula:
C35H54O5
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Chemical Name:
(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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Synonyms:
22 beta-2-methylbutanoyloxy-3-oxoolean-12-en-28-oic acid;dihydrolantadene A;lantadene C;Lantadene C;88034-27-9;Dihydrolantadene A;22beta-2-Methylbutanoyloxy-3-oxoolean-12-en-28-oic acid;DTXSID201007916;22-[(2-Methylbutanoyl)oxy]-3-oxoolean-12-en-28-oic acid;Olean-12-en-28-oic acid, 22-(2-methyl-1-oxobutoxy)-3-oxo-, (22beta(S))-
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CAS No:
(4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid Basic Attributes
554.8 g/mol
554.39712482 g/mol
Computed Properties
Molecular Weight:554.8
XLogP3:8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:554.39712482
Monoisotopic Mass:554.39712482
Topological Polar Surface Area:80.7
Heavy Atom Count:40
Complexity:1130
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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