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Details

Stereochemistry RACEMIC
Molecular Formula C30H30O8.C2H4O2
Molecular Weight 578.6064
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, RACEMIC

SHOW SMILES / InChI
Structure of GOSSYPOL ACETIC ACID

SMILES

CC(O)=O.CC(C)C1=C(O)C(O)=C(C=O)C2=C1C=C(C)C(=C2O)C3=C(O)C4=C(C=C3C)C(C(C)C)=C(O)C(O)=C4C=O

InChI

InChIKey=NIOHNDKHQHVLKA-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H30O8
Molecular Weight 518.5544
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:39:29 UTC 2023
Edited
by admin
on Fri Dec 15 18:39:29 UTC 2023
Record UNII
S7RL72610R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOSSYPOL ACETIC ACID
MI   WHO-DD  
Common Name English
(±)-GOSSYPOL ACETIC ACID
Common Name English
Gossypol acetic acid [WHO-DD]
Common Name English
GOSSYPOL ACETIC ACID [MI]
Common Name English
NSC-19048
Code English
(2,2'-BINAPHTHALENE)-8,8'-DICARBOXALDEHYDE, 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-5,5'-BIS(1-METHYLETHYL)-, COMPD. WITH ACETIC ACID (1:1)
Systematic Name English
GOSSYPOL ACETATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2089
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
Code System Code Type Description
CAS
5453-04-3
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
CAS
12542-36-8
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
FDA UNII
S7RL72610R
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
MESH
C028178
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
SMS_ID
100000157716
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
MERCK INDEX
m5834
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY Merck Index
NSC
19048
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
PUBCHEM
227456
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
NCI_THESAURUS
C1118
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
EVMPD
SUB166229
Created by admin on Fri Dec 15 18:39:29 UTC 2023 , Edited by admin on Fri Dec 15 18:39:29 UTC 2023
PRIMARY
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