(-)-gossypol; acetic acid

(-)-gossypol; acetic acid

CAS: 12542-36-8

Formula: C32H34O10

SMILES: CC(O)=O.CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)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; acetic acid

InChI: InChI=1S/C30H30O8.C2H4O2/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;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)

Composition: C (66.43%), H (5.92%), O (27.65%)

Molar Mass: 578.614

Atom Count: 76

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	578.215197295
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
InChIKey	NIOHNDKHQHVLKA-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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