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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O2
Molecular Weight 314.4617
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

SMILES

CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@@H]2C(C)=C)C(O)=C1

InChI

InChIKey=QHMBSVQNZZTUGM-QZTJIDSGSA-N
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O2
Molecular Weight 314.4617
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 Wed Apr 02 17:56:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:56:24 GMT 2025
Record UNII
FC59P835T3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-cis)-
Preferred Name English
2-[(1R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Systematic Name English
Code System Code Type Description
FDA UNII
FC59P835T3
Created by admin on Wed Apr 02 17:56:24 GMT 2025 , Edited by admin on Wed Apr 02 17:56:24 GMT 2025
PRIMARY
CAS
152697-81-9
Created by admin on Wed Apr 02 17:56:24 GMT 2025 , Edited by admin on Wed Apr 02 17:56:24 GMT 2025
PRIMARY
PUBCHEM
12302388
Created by admin on Wed Apr 02 17:56:24 GMT 2025 , Edited by admin on Wed Apr 02 17:56:24 GMT 2025
PRIMARY