 Home > Encyclopedia > (2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde

(2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde

(2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde structure

CAS No:
109357-42-8
Formula:
C28H36O6
Chemical Name:
(2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde
Synonyms:
27-dehydrowithaferin A;27-DWA;27-Dehydrowithaferin A;109357-42-8;27-Dwa;CHEMBL4210205;DTXSID20911129;4-Hydroxy-1,27-dioxo-5,6:22,27-diepoxyergosta-2,24-dien-26-al;Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22-dihydroxy-1,27-dioxo-, delta-lactone, (4beta,5beta,6beta,22R)-

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(2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde Basic Attributes

Molecular Weight：

468.6 g/mol

Exact Mass：

468.25118886 g/mol

Characteristics

PSA：

93.2 Å²

Drug Information

MeSH Entry Terms：

27-dehydrowithaferin A

Computed Properties

Molecular Weight:468.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:468.25118886
Monoisotopic Mass:468.25118886
Topological Polar Surface Area:93.2
Heavy Atom Count:34
Complexity:1030
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde

Basic Attributes
Characteristics
Drug Information
Computed Properties

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