(-)-gossypol

(-)-gossypol

CAS: 303-45-7

Formula: C30H30O8

SMILES: CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C

IUPAC: 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-8,8'-dicarbaldehyde

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

Composition: C (69.49%), H (5.83%), O (24.68%)

Molar Mass: 518.562

Atom Count: 68

Heavy Atom Count: 38

Properties

Properties

Common Names	(+)-gossypol; (+)-isomer gossypol; (+-)-gossypol; (+-)-isomer gossypol; (-)-gossypol; (-)-isomer gossypol; cottonseed meal toxin; dipotassium salt, gossypol; gossypol; gossypol (racemic); gossypol (substance); gossypol dipotassium salt; gossypol sodium salt; gossypol, (+)-; gossypol, (+)-isomer; gossypol, (+-)-; gossypol, (+-)-isomer; gossypol, (-)-; gossypol, (-)-isomer; sodium salt, gossypol; tash 1
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	518.194067926
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
InChIKey	QBKSWRVVCFFDOT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.61
Topological Polar Surface Area	155.52
Polarizability	58.13
Ring Count	4
Rotatable Bond Count	4

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