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-

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For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5610

CAS

172617-99-1

Product Name

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-

Structure

Product Details

Description

Eucalyptone comes from the branch of Eucalyptus globulus.

Synonyms

Macrocarpal AM 1

IUPAC Name

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

Molecular Weight

486.6

Molecular Formula

C28H38O7

Canonical SMILES

CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC(=O)C2C3C(C3(C)C)CCC(=O)C)C

InChI

InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19-,22-,23?,28-/m1/s1

InChIKey

KGPNGYABEKLGJP-VOUKFXJASA-N

Boiling Point

559.7±50.0 °C(Predicted)

Purity

>98%

Density

1.214±0.06 g/cm3(Predicted)

Appearance

Yellow powder

pKa

5.34±0.50(Predicted)

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* Service & Products of Interested: [Sesquiterpene] 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- (172617-99-1)
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