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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-THUJAPLICINOL

SMILES

CC(C)C1=CC=C(O)C(=O)C(O)=C1

InChI

InChIKey=HVGNSPLLPQWYGC-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:50:22 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:22 GMT 2023
Record UNII
UW241P2H16
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-THUJAPLICINOL
Systematic Name English
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,7-DIHYDROXY-4-ISOPROPYL-
Common Name English
2,7-DIHYDROXY-4-(1-METHYLETHYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE
Systematic Name English
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,7-DIHYDROXY-4-(1-METHYLETHYL)-
Systematic Name English
NSC-18806
Code English
Code System Code Type Description
NSC
18806
Created by admin on Sat Dec 16 12:50:22 GMT 2023 , Edited by admin on Sat Dec 16 12:50:22 GMT 2023
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FDA UNII
UW241P2H16
Created by admin on Sat Dec 16 12:50:22 GMT 2023 , Edited by admin on Sat Dec 16 12:50:22 GMT 2023
PRIMARY
PUBCHEM
72605
Created by admin on Sat Dec 16 12:50:22 GMT 2023 , Edited by admin on Sat Dec 16 12:50:22 GMT 2023
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EPA CompTox
DTXSID70195876
Created by admin on Sat Dec 16 12:50:22 GMT 2023 , Edited by admin on Sat Dec 16 12:50:22 GMT 2023
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CAS
4356-35-8
Created by admin on Sat Dec 16 12:50:22 GMT 2023 , Edited by admin on Sat Dec 16 12:50:22 GMT 2023
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