3-(3,4-Dihydroxyphenyl)propanoic acid 21α-hydroxy-β-serrata-14-ene-3β-yl ester
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3-(3,4-Dihydroxyphenyl)propanoic acid 21α-hydroxy-β-serrata-14-ene-3β-yl ester
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CAS No:
29368-34-1
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Formula:
C39H58O5
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Chemical Name:
3-(3,4-Dihydroxyphenyl)propanoic acid 21α-hydroxy-β-serrata-14-ene-3β-yl ester
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Synonyms:
21α-Hydroxyserrat-14-en-3β-yl dihydrocafferate;3-(3,4-Dihydroxyphenyl)propanoic acid 21α-hydroxy-β-serrata-14-ene-3β-yl ester;C(14a)-Homo-27-norgammacer-14(15)-ene-3β,21α-diol 3-(3,4-dihydroxybenzenepropanoate);Phlegmanol A
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CAS No:
3-(3,4-Dihydroxyphenyl)propanoic acid 21α-hydroxy-β-serrata-14-ene-3β-yl ester Basic Attributes
606.87482
606.428
Computed Properties
Molecular Weight:606.9
XLogP3:9.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:606.42842495
Monoisotopic Mass:606.42842495
Topological Polar Surface Area:87
Heavy Atom Count:44
Complexity:1130
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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