Cleistanthin
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Cleistanthin
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CAS No:
25047-48-7
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Formula:
C28H28O11
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Chemical Name:
Cleistanthin
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Synonyms:
Naphtho[2,3-c]furan-1(3H)-one,9-(1,3-benzodioxol-5-yl)-4-[(3,4-di-O-methyl-D-xylopyranosyl)oxy]-6,7-dimethoxy-;Cleistanthin;9-(1,3-Benzodioxol-5-yl)-4-[(3,4-di-O-methyl-D-xylopyranosyl)oxy]-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one;Cleistanthin A;24059-01-6;28196-44-3;29400-64-4;32225-80-2
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CAS No:
Description
ChEBI: A member of the class of cleistanthins that is the 4-O-3,4-di-O-methyl-beta-D-xylopyranoside of 1,3-dihydronaphtho[2,3-c]furan-4-ol which is substituted by an oxo group at position 1, methoxy groups at positions 6 and 7, and a 1,3-benzodioxol-5-yl group at position 9. It is one of the toxic principles in Cleistanthus collinus.
Computed Properties
Molecular Weight:540.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:540.16316171
Monoisotopic Mass:540.16316171
Topological Polar Surface Area:120
Heavy Atom Count:39
Complexity:857
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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