TEI 9647
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TEI 9647
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CAS No:
173388-20-0
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Formula:
C27H38O4
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Chemical Name:
TEI 9647
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Synonyms:
2(3H)-Furanone,5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-,(5S)-;9,10-Secocholesta-5,7,10(19),25(27)-tetraen-26-oic acid,1,3,23-trihydroxy-,γ-lactone,(1α,3β,5Z,7E,23S)-;(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-2(3H)-furanone;TEI 9647;1246849-95-5
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CAS No:
TEI 9647 Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]
Computed Properties
Molecular Weight:426.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:426.27700969
Monoisotopic Mass:426.27700969
Topological Polar Surface Area:66.8
Heavy Atom Count:31
Complexity:821
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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