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Details

Stereochemistry ACHIRAL
Molecular Formula C21H30O3
Molecular Weight 330.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6AR,8R,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6H,6AH,7H,8H,10AH-BENZO(C)ISOCHROMENE-1,8-DIOL

SMILES

CCCCCC1=CC(O)=C2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)OC2=C1

InChI

InChIKey=INKUWBOHCFHXTJ-BRWVUGGUSA-N
InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O3
Molecular Weight 330.4611
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 17:49:36 GMT 2025
Edited
by admin
on Mon Mar 31 17:49:36 GMT 2025
Record UNII
TO89JGK3SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(8R)-6,6,9-TRIMETHYL-3-PENTYL-6A,7,8,10A-TETRAHYDROBENZO(C)CHROMENE-1,8-DIOL
Preferred Name English
(6AR,8R,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6H,6AH,7H,8H,10AH-BENZO(C)ISOCHROMENE-1,8-DIOL
Systematic Name English
6H-DIBENZO(B,D)PYRAN-1,8-DIOL, 6A,7,8,10A-TETRAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6A.ALPHA.,8.ALPHA.,10A.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30191778
Created by admin on Mon Mar 31 17:49:36 GMT 2025 , Edited by admin on Mon Mar 31 17:49:36 GMT 2025
PRIMARY
FDA UNII
TO89JGK3SC
Created by admin on Mon Mar 31 17:49:36 GMT 2025 , Edited by admin on Mon Mar 31 17:49:36 GMT 2025
PRIMARY
CAS
38456-07-4
Created by admin on Mon Mar 31 17:49:36 GMT 2025 , Edited by admin on Mon Mar 31 17:49:36 GMT 2025
PRIMARY