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Details

Stereochemistry ACHIRAL
Molecular Formula C23H28O5
Molecular Weight 384.4654
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Cristatic acid

SMILES

CC(C)=CC1=CC(CCC\C(C)=C\CC2=C(O)C(C(O)=O)=C(C)C=C2O)=CO1

InChI

InChIKey=SHLSLIGKNZUPMK-OVCLIPMQSA-N
InChI=1S/C23H28O5/c1-14(2)10-18-12-17(13-28-18)7-5-6-15(3)8-9-19-20(24)11-16(4)21(22(19)25)23(26)27/h8,10-13,24-25H,5-7,9H2,1-4H3,(H,26,27)/b15-8+

HIDE SMILES / InChI

Molecular Formula C23H28O5
Molecular Weight 384.4654
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:55:42 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:42 GMT 2023
Record UNII
V2UHQ4A27L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cristatic acid
Common Name English
NSC-338268
Code English
2,4-Dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propen-1-yl)-3-furanyl]-2-hexen-1-yl]benzoic acid
Systematic Name English
Benzoic acid, 2,4-dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propen-1-yl)-3-furanyl]-2-hexen-1-yl]-
Systematic Name English
Benzoic acid, 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methyl-1-propenyl)-3-furanyl]-2-hexenyl]-, (E)-
Systematic Name English
Benzoic acid, 2,4-dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propenyl)-3-furanyl]-2-hexenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
5458761
Created by admin on Sat Dec 16 12:55:42 GMT 2023 , Edited by admin on Sat Dec 16 12:55:42 GMT 2023
PRIMARY
FDA UNII
V2UHQ4A27L
Created by admin on Sat Dec 16 12:55:42 GMT 2023 , Edited by admin on Sat Dec 16 12:55:42 GMT 2023
PRIMARY
NSC
338268
Created by admin on Sat Dec 16 12:55:42 GMT 2023 , Edited by admin on Sat Dec 16 12:55:42 GMT 2023
PRIMARY
CAS
80557-13-7
Created by admin on Sat Dec 16 12:55:42 GMT 2023 , Edited by admin on Sat Dec 16 12:55:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID801110375
Created by admin on Sat Dec 16 12:55:42 GMT 2023 , Edited by admin on Sat Dec 16 12:55:42 GMT 2023
PRIMARY