chempirical

Gossypol acetic acid

C32H34O10CAS 12542-36-8578.61 g/mol

Open in Covalent MOL file
OHOHOOHOHOOHHOOOH
AldehydeCarboxylic acidPhenol

Properties

Molecular formula
C32H34O10
Molar mass
578.61 g/mol
Exact mass
578.2152 Da
logP
6.47Crippen estimate
Polar surface area
192.8 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
12542-36-8
SMILES
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.CC(=O)O
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
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)

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Work with Gossypol acetic acid

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Similar compounds

Gossypol303-45-782 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-332 % similar 2,6-Dimethyl-4-hydroxybenzaldehyde70547-87-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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