Germacra-3,9,11(13)-triene-12,15-dioic acid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2-chloro-3-hydroxy-2-methylbutyrate
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Germacra-3,9,11(13)-triene-12,15-dioic acid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2-chloro-3-hydroxy-2-methylbutyrate
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CAS No:
24694-80-2
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Formula:
C23H29ClO9
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Chemical Name:
Germacra-3,9,11(13)-triene-12,15-dioic acid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2-chloro-3-hydroxy-2-methylbutyrate
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Synonyms:
Germacra-3,9,11(13)-triene-12,15-dioic acid,5,6,8-trihydroxy-,12,8-lactone,methyl ester,5-acetate 2-chloro-3-hydroxy-2-methylbutyrate;Butyric acid,2-chloro-3-hydroxy-2-methyl-,6-ester with 5,6,8-trihydroxygermacra-3,9,11(13)-triene-12,15-dioic acid 12,8-lactone methyl ester acetate
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CAS No:
Germacra-3,9,11(13)-triene-12,15-dioic acid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2-chloro-3-hydroxy-2-methylbutyrate Basic Attributes
484.9
484.92
Computed Properties
Molecular Weight:484.9
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:484.1500102
Monoisotopic Mass:484.1500102
Topological Polar Surface Area:125
Heavy Atom Count:33
Complexity:906
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Germacra-3,9,11(13)-triene-12,15-dioic acid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate 2-chloro-3-hydroxy-2-methylbutyrate
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