Shoreic acid
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Shoreic acid
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CAS No:
21671-00-1
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Formula:
C30H50O4
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Chemical Name:
Shoreic acid
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Synonyms:
1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5R)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-,(3S,3aR,5aR,6S,7S,9aR,9bR)-;3,4-Secodammar-4(28)-en-3-oic acid,20,24-epoxy-25-hydroxy-,(24R)-;(3S,3aR,5aR,6S,7S,9aR,9bR)-Dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5R)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1H-benz[e]indene-6-propanoic acid;Shoreic acid;Shoric acid;20,24-Epoxy-25-hydroxy-3,4-seco-4(28)-dammaren-3-oic acid methyl ester;29-Deoxycleomdiolic acid
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CAS No:
Characteristics
66.76000
7.99
1.0±0.1 g/cm3
102-104 °C
568.3±45.0 °C at 760 mmHg
174.3±22.2 °C
1.514
Computed Properties
Molecular Weight:474.7
XLogP3:7.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:474.37091007
Monoisotopic Mass:474.37091007
Topological Polar Surface Area:66.8
Heavy Atom Count:34
Complexity:834
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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