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

Details

Stereochemistry RACEMIC
Molecular Formula C20H28O4
Molecular Weight 332.4347
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABITRIOL, (+/-)

SMILES

CCCCCc1cc(c2c(c1)OC(C)(C)C3=C2[C@@]([H])([C@]([H])(CC3)O)O)O

InChI

InChIKey=MKLGOBHFQLDLCE-IFXJQAMLSA-N
InChI=1S/C20H28O4/c1-4-5-6-7-12-10-15(22)18-16(11-12)24-20(2,3)13-8-9-14(21)19(23)17(13)18/h10-11,14,19,21-23H,4-9H2,1-3H3/t14-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O4
Molecular Weight 332.4347
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 Fri Jun 25 20:37:06 UTC 2021
Edited
by admin
on Fri Jun 25 20:37:06 UTC 2021
Record UNII
FV3E92D97V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABITRIOL, (+/-)
Common Name English
CBT
Code English
6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 7,8,9,10-TETRAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, TRANS
Systematic Name English
(+/-)-TRANS-CANNABITRIOL
Common Name English
Code System Code Type Description
PUBCHEM
155804790
Created by admin on Fri Jun 25 20:37:06 UTC 2021 , Edited by admin on Fri Jun 25 20:37:06 UTC 2021
PRIMARY
CAS
74184-29-5
Created by admin on Fri Jun 25 20:37:06 UTC 2021 , Edited by admin on Fri Jun 25 20:37:06 UTC 2021
PRIMARY
FDA UNII
FV3E92D97V
Created by admin on Fri Jun 25 20:37:06 UTC 2021 , Edited by admin on Fri Jun 25 20:37:06 UTC 2021
PRIMARY
CAS
11003-36-4
Created by admin on Fri Jun 25 20:37:06 UTC 2021 , Edited by admin on Fri Jun 25 20:37:06 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Cannabitriol Class