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Purpactin A

Purpactin A structure

CAS No:
133806-59-4
Formula:
C23H26O7
Chemical Name:
Purpactin A
Synonyms:
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one,3-[(1S)-1-(acetyloxy)-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-;5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one,3-[1-(acetyloxy)-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-,(S)-;3-[(1S)-1-(Acetyloxy)-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one;Purpactin A;FO 608A;Vermixocin B;Penicillide 1′-acetate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Purpactin A Basic Attributes

Molecular Weight：

414.44800

Exact Mass：

414.45

NSC Number：

658785

Characteristics

PSA：

91.29000

XLogP3：

4.82220

Density：

1.223g/cm3

Boiling Point：

601.6ºC

Flash Point：

206.2ºC

Refractive Index：

1.56

Vapor Pressure：

4.55E-15mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-(1'-acetoxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo(c,f)(1,5)-dioxocin-5-one

Computed Properties

Molecular Weight:414.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:414.16785316
Monoisotopic Mass:414.16785316
Topological Polar Surface Area:91.3
Heavy Atom Count:30
Complexity:606
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 133806-59-4

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