Tagitinin A
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Tagitinin A
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CAS No:
59979-61-2
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Formula:
C19H28O7
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Chemical Name:
Tagitinin A
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Synonyms:
Propanoic acid,2-methyl-,(3aS,4R,6R,7R,9S,10S,11aR)-dodecahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester;6,9-Epoxycyclodeca[b]furan,propanoic acid deriv.;Tagitinin A
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CAS No:
Characteristics
102.29000
1.29
1.3±0.1 g/cm3
172-174 °C @ Solvent: Methanol
539.9±50.0 °C at 760 mmHg
189.0±23.6 °C
1.543
Computed Properties
Molecular Weight:368.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:368.18350323
Monoisotopic Mass:368.18350323
Topological Polar Surface Area:102
Heavy Atom Count:26
Complexity:629
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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