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Details

Stereochemistry RACEMIC
Molecular Formula C13H20O3
Molecular Weight 224.2961
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, (4R,3R)-(Z)-(±)-

SMILES

C[C@@H](O)\C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C

InChI

InChIKey=KPQMCAKZRXOZLB-IXALROIGSA-N
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13+/m1/s1

HIDE SMILES / InChI
Molecular Formula C13H20O3
Molecular Weight 224.2961
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Description

4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4R,3R)-(Z)-(±)- is a terpenoid and one of vomifoliol isomers.

Originator

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 03:58:16 GMT 2023
Edited
by admin
on Sat Dec 16 03:58:16 GMT 2023
Record UNII
YA29LE727Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, (4R,3R)-(Z)-(±)-
Systematic Name English
2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (R*,R*-(Z))-(±)-
Common Name English
FEMA NO. 4661, (4R,3R)-(Z)-(±)-
Code English
2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-((12-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (R*,R*-(Z))-
Common Name English
2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-((1Z,3R)-3-HYDROXY-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-, (4R)-REL-
Common Name English
Code System Code Type Description
FDA UNII
YA29LE727Y
Created by admin on Sat Dec 16 03:58:16 GMT 2023 , Edited by admin on Sat Dec 16 03:58:16 GMT 2023
PRIMARY
CAS
157903-14-5
Created by admin on Sat Dec 16 03:58:16 GMT 2023 , Edited by admin on Sat Dec 16 03:58:16 GMT 2023
PRIMARY
PUBCHEM
71587541
Created by admin on Sat Dec 16 03:58:16 GMT 2023 , Edited by admin on Sat Dec 16 03:58:16 GMT 2023
PRIMARY
NIH
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