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Details

Stereochemistry RACEMIC
Molecular Formula C22H32O2
Molecular Weight 328.4883
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYLPHENOL, REL-

SMILES

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

InChI

InChIKey=IPGGELGANIXRSX-RBUKOAKNSA-N
InChI=1S/C22H32O2/c1-6-7-8-9-17-13-20(23)22(21(14-17)24-5)19-12-16(4)10-11-18(19)15(2)3/h12-14,18-19,23H,2,6-11H2,1,3-5H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32O2
Molecular Weight 328.4883
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 12:39:59 GMT 2025
Edited
by admin
on Wed Apr 02 12:39:59 GMT 2025
Record UNII
YG4ADB5UKZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYLPHENOL, REL-
Systematic Name English
PHENOL, 3-METHOXY-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-, REL-
Preferred Name English
REL-3-METHOXY-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYLPHENOL
Systematic Name English
PHENOL, 3-METHOXY-2-(3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-, TRANS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
YG4ADB5UKZ
Created by admin on Wed Apr 02 12:39:59 GMT 2025 , Edited by admin on Wed Apr 02 12:39:59 GMT 2025
PRIMARY
CAS
41696-63-3
Created by admin on Wed Apr 02 12:39:59 GMT 2025 , Edited by admin on Wed Apr 02 12:39:59 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE