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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    24694-80-2

  • Formula:

    C23H29ClO9

  • 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

  • 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

  • Categories:

    Natural Products  >  Sesquiterpene

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

Characteristics

1.29±0.1 g/cm3(Predicted)

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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