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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O5
Molecular Weight 374.4706
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABIELSOIC ACID A

SMILES

[H][C@]12[C@@H](CC[C@](C)(O)[C@@]1([H])OC3=C2C(O)=C(C(O)=O)C(CCCCC)=C3)C(C)=C

InChI

InChIKey=OQCOBNKTUMOOHJ-RSGMMRJUSA-N
InChI=1S/C22H30O5/c1-5-6-7-8-13-11-15-18(19(23)16(13)21(24)25)17-14(12(2)3)9-10-22(4,26)20(17)27-15/h11,14,17,20,23,26H,2,5-10H2,1,3-4H3,(H,24,25)/t14-,17+,20-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O5
Molecular Weight 374.4706
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:51 UTC 2023
Edited
by admin
on Sat Dec 16 08:02:51 UTC 2023
Record UNII
B9KX89W42K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABIELSOIC ACID A
Common Name English
CANNABIELSOINIC ACID
Common Name English
2-DIBENZOFURANCARBOXYLIC ACID, 5A,6,7,8,9,9A-HEXAHYDRO-1,6-DIHYDROXY-9-ISOPROPENYL-6-METHYL-3-PENTYL-
Systematic Name English
2-DIBENZOFURANCARBOXYLIC ACID, 5A,6,7,8,9,9A-HEXAHYDRO-1,6-DIHYDROXY-6-METHYL-9-(1-METHYLETHENYL)-3-PENTYL-, (5AS,6S,9R,9AR)-
Systematic Name English
CBEA-A
Code English
(5AS,6S,9R,9AR)-5A,6,7,8,9,9A-HEXAHYDRO-1,6-DIHYDROXY-6-METHYL-9-(1-METHYLETHENYL)-3-PENTYL-2-DIBENZOFURANCARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
26674-02-2
Created by admin on Sat Dec 16 08:02:51 UTC 2023 , Edited by admin on Sat Dec 16 08:02:51 UTC 2023
PRIMARY
PUBCHEM
59444405
Created by admin on Sat Dec 16 08:02:51 UTC 2023 , Edited by admin on Sat Dec 16 08:02:51 UTC 2023
PRIMARY
FDA UNII
B9KX89W42K
Created by admin on Sat Dec 16 08:02:51 UTC 2023 , Edited by admin on Sat Dec 16 08:02:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Cannabielsoin Class