β,β-Caroten-8(5H)-one,6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-,(3S,3'S,5R,5'R,6S,6'S)-
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β,β-Caroten-8(5H)-one,6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-,(3S,3'S,5R,5'R,6S,6'S)-
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CAS No:
7176-02-5
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Formula:
C40H56O5
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Chemical Name:
β,β-Caroten-8(5H)-one,6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-,(3S,3'S,5R,5'R,6S,6'S)-
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Synonyms:
β,β-Caroten-8(5H)-one, 6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-, (3S,3'S,5R,5'R,6S,6'S)-
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CAS No:
β,β-Caroten-8(5H)-one,6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-,(3S,3'S,5R,5'R,6S,6'S)- Basic Attributes
616.87
616.41277488
β,β-Caroten-8(5H)-one,6',7'-didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-,(3S,3'S,5R,5'R,6S,6'S)- Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Computed Properties
Molecular Weight:616.9
XLogP3:7.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:616.41277488
Monoisotopic Mass:616.41277488
Topological Polar Surface Area:90.3
Heavy Atom Count:45
Complexity:1420
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:No
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