(E)-2-Methyl-2-butenoicacid(4R)-2,4,5,5a,6,7,8,9,9aβ,9bα-decahydro-6α-hydroxy-3-(hydroxymethyl)-5aα-methyl-9-methylene-2-oxonaphtho[1,2-b]furan-4α-ylester
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(E)-2-Methyl-2-butenoicacid(4R)-2,4,5,5a,6,7,8,9,9aβ,9bα-decahydro-6α-hydroxy-3-(hydroxymethyl)-5aα-methyl-9-methylene-2-oxonaphtho[1,2-b]furan-4α-ylester
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CAS No:
92484-28-1
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Formula:
C20H26O6
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Chemical Name:
(E)-2-Methyl-2-butenoicacid(4R)-2,4,5,5a,6,7,8,9,9aβ,9bα-decahydro-6α-hydroxy-3-(hydroxymethyl)-5aα-methyl-9-methylene-2-oxonaphtho[1,2-b]furan-4α-ylester
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Synonyms:
Trichomatolide A
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CAS No:
(E)-2-Methyl-2-butenoicacid(4R)-2,4,5,5a,6,7,8,9,9aβ,9bα-decahydro-6α-hydroxy-3-(hydroxymethyl)-5aα-methyl-9-methylene-2-oxonaphtho[1,2-b]furan-4α-ylester Basic Attributes
362.41684
362.173
Computed Properties
Molecular Weight:362.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:362.17293854
Monoisotopic Mass:362.17293854
Topological Polar Surface Area:93.1
Heavy Atom Count:26
Complexity:718
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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