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Details

Stereochemistry RACEMIC
Molecular Formula C35H34N2O8
Molecular Weight 610.6531
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABISIN C

SMILES

COC1=CC2=C(C=C1O)[C@@H]([C@@H](C(=O)NCCC3=CC=C(O)C=C3)C(=C2)C(=O)NCCC4=CC=C(O)C=C4)C5=CC(O)=C(O)C=C5

InChI

InChIKey=KTJXNTJMKBMZKA-LQJZCPKCSA-N
InChI=1S/C35H34N2O8/c1-45-31-18-23-16-27(34(43)36-14-12-20-2-7-24(38)8-3-20)33(35(44)37-15-13-21-4-9-25(39)10-5-21)32(26(23)19-30(31)42)22-6-11-28(40)29(41)17-22/h2-11,16-19,32-33,38-42H,12-15H2,1H3,(H,36,43)(H,37,44)/t32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H34N2O8
Molecular Weight 610.6531
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:10:03 GMT 2023
Edited
by admin
on Sat Dec 16 11:10:03 GMT 2023
Record UNII
BAE8BZ7W3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABISIN C
Common Name English
CANNABISIN-C
Common Name English
REL-(1R,2S)-1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-7-HYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-6-METHOXY-2,3-NAPHTHALENEDICARBOXA
Systematic Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-7-HYDROXY-N,N'-BIS(2-(4-HYDROXYPHENYL)ETHYL)-6-METHOXY-, TRANS-(±)-
Systematic Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-7-HYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-6-METHOXY-, (1R,2S)-REL-
Systematic Name English
Code System Code Type Description
CAS
144506-18-3
Created by admin on Sat Dec 16 11:10:03 GMT 2023 , Edited by admin on Sat Dec 16 11:10:03 GMT 2023
PRIMARY
FDA UNII
BAE8BZ7W3N
Created by admin on Sat Dec 16 11:10:03 GMT 2023 , Edited by admin on Sat Dec 16 11:10:03 GMT 2023
PRIMARY
PUBCHEM
101631693
Created by admin on Sat Dec 16 11:10:03 GMT 2023 , Edited by admin on Sat Dec 16 11:10:03 GMT 2023
PRIMARY
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