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(4-acetyloxy-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.01,5]tridecan-12-yl) benzoate

(4-acetyloxy-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.01,5]tridecan-12-yl) benzoate structure

CAS No:
144923-90-0
Formula:
C24H30O8
Chemical Name:
(4-acetyloxy-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.01,5]tridecan-12-yl) benzoate
Synonyms:
isodunnianin;Isodunnianin;144923-90-0;8-(acetyloxy)-8a,11-dihydroxy-1,6,11-trimethyl-4-oxooctahydro-1,5a-propanocyclopenta[d]oxepin-10-yl benzoate;DTXSID00932453;1,5a-Propano-5aH-cyclopent(d)oxepin-4(5H)-one, 8-(acetyloxy)-10-(benzoyloxy)hexahydro-8a,11-dihydroxy-1,6,11-trimethyl-, (1alpha,5aalpha,6beta,8beta,8aalpha,10R*,11S*)-

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(4-acetyloxy-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.01,5]tridecan-12-yl) benzoate Basic Attributes

Molecular Weight：

446.5 g/mol

Exact Mass：

446.19406791 g/mol

Characteristics

PSA：

119 Å²

Drug Information

MeSH Entry Terms：

isodunnianin

Computed Properties

Molecular Weight:446.5
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:446.19406791
Monoisotopic Mass:446.19406791
Topological Polar Surface Area:119
Heavy Atom Count:32
Complexity:806
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-acetyloxy-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.01,5]tridecan-12-yl) benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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