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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O2
Molecular Weight 314.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABICITRAN

SMILES

CCCCCC1=CC2=C3[C@@H]4C[C@@](C)(CC[C@@H]4C(C)(C)O2)OC3=C1

InChI

InChIKey=IXJXRDCCQRZSDV-VWKPWSFCSA-N
InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O2
Molecular Weight 314.4617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:38:36 GMT 2025
Edited
by admin
on Mon Mar 31 22:38:36 GMT 2025
Record UNII
2I99OU7Q1I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CBT-2
Preferred Name English
CANNABICITRAN
Common Name English
CANNABICITRAN [NFLIS-DRUG]
Common Name English
CITRYLIDENECANNABIS
Common Name English
2,4-ETHANO-2H-PYRANO(4,3,2-DE)-1-BENZOPYRAN, 3,3A,4,5-TETRAHYDRO-2,5,5-TRIMETHYL-8-PENTYL-, (2.ALPHA.,3A.BETA.,4.ALPHA.)-
Common Name English
1,9-EPOXY-6H-DIBENZO(B,D)PYRAN, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6A.ALPHA.,9.BETA.,10A.ALPHA.)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000052055
Created by admin on Mon Mar 31 22:38:36 GMT 2025 , Edited by admin on Mon Mar 31 22:38:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID10953497
Created by admin on Mon Mar 31 22:38:36 GMT 2025 , Edited by admin on Mon Mar 31 22:38:36 GMT 2025
PRIMARY
FDA UNII
2I99OU7Q1I
Created by admin on Mon Mar 31 22:38:36 GMT 2025 , Edited by admin on Mon Mar 31 22:38:36 GMT 2025
PRIMARY
PUBCHEM
101820920
Created by admin on Mon Mar 31 22:38:36 GMT 2025 , Edited by admin on Mon Mar 31 22:38:36 GMT 2025
PRIMARY
CAS
31508-71-1
Created by admin on Mon Mar 31 22:38:36 GMT 2025 , Edited by admin on Mon Mar 31 22:38:36 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT