1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde

Basic Information

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CAS Number

303-45-7

Molecular Formula

C30H30O8

Molecular Weight

518.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

181-183 C

Boiling Point

707.9±55.0℃ at 760 mmHg

Water Solubility

Soluble in 100%ethanol (25 mg/ml), DMF (25 mg/ml), acetone, DMSO (25 mM), methanol (2 mg/ml), ether, chloroform, sodium carbonate, and dilute aqueous solutions of ammonia . Insoluble in water. Gossypol is a male antifertility agent with antispermatogenic activity and has been shown to contain antitumor, anitviral, and antioxidant properties.

Flash Point

395.9 ºC

Solubility

Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water.

Refractive Index

1.4900 (estimate)

Vapor Pressure

7.06X10-21 mm Hg at 25 °C (est)

SMILES

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CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O

InChI

InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3

InChIKey

QBKSWRVVCFFDOT-UHFFFAOYSA-N

LogP

6.382240000000008

Topological Polar Surface Area

155.51999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 8

Complexity

780

Safety Information

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GHS Hazard Pictograms

H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Storage Conditions

2-8℃

Synonyms & References

English

AC-30274
CAS-303-45-7
UNII-KAV15B369O
CHEMBL51483
GOSSYPOL [VANDF]
C07667
(-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde
SR-01000597521-1
NCGC00016423-10
KBio3_002024
MFCD00017352
Tox21_110434_1
BDBM23223
KBio2_005975
BCP03607
(+)-Gossypol
HMS3268O22
BSPBio_000773
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
R-(-)-gossypol
(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-
HMS3262J15
(R)-2,2'-BIS(8-FORMYL-1,6,7-TRIHYDROXY-5-ISOPROPYL-3-METHYLNAPHTHALENE)
GO3
AT 101
Spectrum5_000693
Tox21_110434
NCGC00016423-03
Spectrum_000359
KBio2_002001
Prestwick0_000677