Gossypol

C30H30O8CAS 303-45-7518.56 g/mol

Open in Covalent MOL file
OHOHOHOHOHOOOH
AldehydePhenol

Properties

Molecular formula
C30H30O8
Molar mass
518.56 g/mol
Exact mass
518.1941 Da
Melting point
199 °C
Water solubility
insoluble
logP
6.38Crippen estimate
Polar surface area
155.5 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
5

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number
303-45-7
SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
InChIKey
QBKSWRVVCFFDOT-UHFFFAOYSA-N
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

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Names and synonyms

16 names · show all
  • [2,2′-Binaphthalene]-8,8′-dicarboxaldehyde, 1,1′,6,6′,7,7′-hexahydroxy-3,3′-dimethyl-5,5′-bis(1-methylethyl)-
  • [2,2′-Binaphthalene]-8,8′-dicarboxaldehyde, 1,1′,6,6′,7,7′-hexahydroxy-5,5′-diisopropyl-3,3′-dimethyl-
  • 1,1′,6,6′,7,7′-Hexahydroxy-3,3′-dimethyl-5,5′-bis(1-methylethyl)[2,2′-binaphthalene]-8,8′-dicarboxaldehyde
  • 2,2′-Bis[8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthyl]
  • 2,2′-Bis[1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthyl]
  • 1,1′,6,6′,7,7′-Hexahydroxy-5,5′-diisopropyl-3,3′-dimethyl-2,2′-binaphthalene-8,8′-dicarboxaldehyde
  • 1,1′,6,6′,7,7′-Hexahydroxy-3,3′-dimethyl-5,5′-diisopropyl-2,2′-binaphthyl-8,8′-dialdehyde
  • 1,1′,6,6′,7,7′-Hexahydroxy-3,3′-dimethyl-5,5′-diisopropyl[2,2′-binaphthalene]-8,8′-dicarboxaldehyde
  • Tash 1
  • (±)-Gossypol
  • Pogosin
  • No fertil
  • NSC 56817
  • NSC 624336
  • 1,6,7,1′,6′,7′-Hexahydroxy-5,5′-diisopropyl-3,3′-dimethyl-[2,2′]binaphthalenyl-8,8′-dicarboxaldehyde
  • BL 193

Work with Gossypol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Gossypol acetic acid12542-36-882 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-338 % similar 2,6-Dimethyl-4-hydroxybenzaldehyde70547-87-438 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-333 % similar 2,4,6-Trimethylbenzaldehyde487-68-333 % similar 3-Methylsalicylaldehyde824-42-033 % similar 3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde81322-67-032 % similar Diformylcresol7310-95-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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