 Home > Encyclopedia > 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one structure

CAS No:
27863-60-1
Formula:
C28H40O5
Chemical Name:
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Synonyms:
27863-60-1;NSC97868;4-hydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione;Withaferin A, deoxydihydro-;DTXSID40950535;27-Deoxy-2,3-dihydrowithaferin-A;NSC-97868;NSC328160;NSC-328160

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15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one Basic Attributes

Molecular Weight：

456.6 g/mol

Exact Mass：

456.28757437 g/mol

NSC Number：

328160|97868

Characteristics

PSA：

76.1 Å²

Computed Properties

Molecular Weight:456.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:456.28757437
Monoisotopic Mass:456.28757437
Topological Polar Surface Area:76.1
Heavy Atom Count:33
Complexity:939
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

Basic Attributes
Characteristics
Computed Properties

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