 Home > Encyclopedia > 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde structure

CAS No:
172617-99-1
Formula:
C28H38O7
Chemical Name:
5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
Synonyms:
1,3-Benzenedicarboxaldehyde,5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-;5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde;Macrocarpal AM 1;Macrocarpal N;(+)-Macrocarpal N
Categories:
Natural Products > Sesquiterpene

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Description

Solid

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde Basic Attributes

Molecular Weight：

486.6

Exact Mass：

486.60

Characteristics

PSA：

128.97000

XLogP3：

6.75

Density：

1.214±0.06 g/cm3(Predicted)

Melting Point：

145-147°C

Boiling Point：

559.7±50.0 °C(Predicted)

Flash Point：

306.3±26.6 °C

Refractive Index：

1.586

Water Solubility：

0.0004347 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

eucalyptone

Computed Properties

Molecular Weight:486.6
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:486.26175355
Monoisotopic Mass:486.26175355
Topological Polar Surface Area:129
Heavy Atom Count:35
Complexity:813
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

SDS

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