5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
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5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
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CAS No:
35454-24-1
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Formula:
C26H32O8
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Chemical Name:
5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
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Synonyms:
NSC135078;BERSALDEGENIN,3,5-ORTHOACETATE;NSC-135078;35454-24-1
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CAS No:
5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde Basic Attributes
472.5 g/mol
472.20971797 g/mol
135078
Computed Properties
Molecular Weight:472.5
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:472.20971797
Monoisotopic Mass:472.20971797
Topological Polar Surface Area:112
Heavy Atom Count:34
Complexity:1040
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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