methyl (2R,3R,7S,8R,9R)-7,8-dihydroxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate
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methyl (2R,3R,7S,8R,9R)-7,8-dihydroxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate
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CAS No:
138828-00-9
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Formula:
C21H24O7
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Chemical Name:
methyl (2R,3R,7S,8R,9R)-7,8-dihydroxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate
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Synonyms:
Gorgiacerodiol;NSC682340;CHEMBL1976311;NSC-682340;NCI60_029449;138828-00-9
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CAS No:
methyl (2R,3R,7S,8R,9R)-7,8-dihydroxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate Basic Attributes
388.4 g/mol
388.15220310 g/mol
682340
Computed Properties
Molecular Weight:388.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:388.15220310
Monoisotopic Mass:388.15220310
Topological Polar Surface Area:106
Heavy Atom Count:28
Complexity:724
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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