U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O4
Molecular Weight 358.4712
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.-8-TETRAHYDROCANNABINOLIC ACID

SMILES

[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)OC3=CC(CCCCC)=C(C(O)=O)C(O)=C23

InChI

InChIKey=YKKHSYLGQXKVMO-HZPDHXFCSA-N
InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9,12,15-16,23H,5-8,10-11H2,1-4H3,(H,24,25)/t15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O4
Molecular Weight 358.4712
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 08:27:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:27:08 GMT 2023
Record UNII
Q3WQP8C9GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.-8-TETRAHYDROCANNABINOLIC ACID
Common Name English
.DELTA.1(6)-TETRAHYDROCANNABINOLIC ACID A
Common Name English
6H-DIBENZO(B,D)PYRAN-2-CARBOXYLIC ACID, 6A,7,10,10A-TETRAHYDRO-1-HYDROXY-6,6,9-TRIMETHYL-3-PENTYL-, (6AR,10AR)-
Systematic Name English
6H-DIBENZO(B,D)PYRAN-2-CARBOXYLIC ACID, 6A,7,10,10A-TETRAHYDRO-1-HYDROXY-6,6,9-TRIMETHYL-3-PENTYL-, (6AR-TRANS)-
Common Name English
.DELTA.6-THC ACID
Common Name English
.DELTA.-8-THCA
Common Name English
Code System Code Type Description
CAS
23978-89-4
Created by admin on Sat Dec 16 08:27:08 GMT 2023 , Edited by admin on Sat Dec 16 08:27:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID90732060
Created by admin on Sat Dec 16 08:27:08 GMT 2023 , Edited by admin on Sat Dec 16 08:27:08 GMT 2023
PRIMARY
PUBCHEM
59444391
Created by admin on Sat Dec 16 08:27:08 GMT 2023 , Edited by admin on Sat Dec 16 08:27:08 GMT 2023
PRIMARY
FDA UNII
Q3WQP8C9GD
Created by admin on Sat Dec 16 08:27:08 GMT 2023 , Edited by admin on Sat Dec 16 08:27:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Delta-S-tetrahydrocannabinol class