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Details

Stereochemistry ACHIRAL
Molecular Formula C34H30N2O8
Molecular Weight 594.6106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABISIN A

SMILES

OC1=CC=C(CCNC(=O)C2=CC3=CC(O)=C(O)C=C3C(C4=CC(O)=C(O)C=C4)=C2C(=O)NCCC5=CC=C(O)C=C5)C=C1

InChI

InChIKey=CLNINZAIEQRASP-UHFFFAOYSA-N
InChI=1S/C34H30N2O8/c37-23-6-1-19(2-7-23)11-13-35-33(43)26-15-22-17-29(41)30(42)18-25(22)31(21-5-10-27(39)28(40)16-21)32(26)34(44)36-14-12-20-3-8-24(38)9-4-20/h1-10,15-18,37-42H,11-14H2,(H,35,43)(H,36,44)

HIDE SMILES / InChI

Molecular Formula C34H30N2O8
Molecular Weight 594.6106
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 Mon Mar 31 23:40:30 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:30 GMT 2025
Record UNII
77H3YWR6WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABISIN A
Common Name English
CANNABISIM-A
Preferred Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-N,N'-BIS(2-(4-HYDROXYPHENYL)ETHYL)-
Systematic Name English
1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-2,3-NAPHTHALENEDICARBOXAMIDE
Systematic Name English
N,N'-BIS(2-(4-HYDROXYPHENYL)ETHYL)-6,7-DIHYDROXY-1-(3,4-DIHYDROXYPHENYL)NAPHTHALENE-2,3-DICARBOXAMIDE
Systematic Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
130508-46-2
Created by admin on Mon Mar 31 23:40:30 GMT 2025 , Edited by admin on Mon Mar 31 23:40:30 GMT 2025
PRIMARY
FDA UNII
77H3YWR6WL
Created by admin on Mon Mar 31 23:40:30 GMT 2025 , Edited by admin on Mon Mar 31 23:40:30 GMT 2025
PRIMARY
PUBCHEM
15086398
Created by admin on Mon Mar 31 23:40:30 GMT 2025 , Edited by admin on Mon Mar 31 23:40:30 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT