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3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone structure

CAS No:
520-40-1
Formula:
C15H22O4
Chemical Name:
3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone
Synonyms:
1-Butanone,3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-;Humulinic acid;1-Butanone,3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-;3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

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3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone Basic Attributes

Molecular Weight：

266.33300

Exact Mass：

266.33

Characteristics

PSA：

77.76000

XLogP3：

2.95660

Density：

1.211g/cm3

Melting Point：

92 °C

Boiling Point：

130-131 °C @ Press: 1 Torr

Flash Point：

225.4ºC

Refractive Index：

1.58

Drug Information

MeSH Entry Terms：

humulinic acid

Computed Properties

Molecular Weight:266.33
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:266.15180918
Monoisotopic Mass:266.15180918
Topological Polar Surface Area:77.8
Heavy Atom Count:19
Complexity:463
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

SDS

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