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Details

Stereochemistry ACHIRAL
Molecular Formula C35H56O5
Molecular Weight 556.8161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Hericene A

SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O

InChI

InChIKey=PLUINHYLFTYIKB-BYNJWEBRSA-N
InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+

HIDE SMILES / InChI

Approval Year

Name Type Language
Hericene A
Common Name English
Hexadecanoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl este
Systematic Name English
Code System Code Type Description
CAS
157207-54-0
Created by admin on Sat Dec 16 19:53:48 GMT 2023 , Edited by admin on Sat Dec 16 19:53:48 GMT 2023
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FDA UNII
D9KLK3KU6Y
Created by admin on Sat Dec 16 19:53:48 GMT 2023 , Edited by admin on Sat Dec 16 19:53:48 GMT 2023
PRIMARY
PUBCHEM
50925563
Created by admin on Sat Dec 16 19:53:48 GMT 2023 , Edited by admin on Sat Dec 16 19:53:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID701116225
Created by admin on Sat Dec 16 19:53:48 GMT 2023 , Edited by admin on Sat Dec 16 19:53:48 GMT 2023
PRIMARY