4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, (4S,3R)-(E)-(±)-

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, (4S,3R)-(E)-(±)-

Structure Search

SMILES

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

InChI

InChIKey=KPQMCAKZRXOZLB-KOIHBYQTSA-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

Approval Year

Name

Type

Language

4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, (4S,3R)-(E)-(±)-

Systematic Name

English

2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (R*,S*-(E))-

Common Name

English

(±)-BLUMENOL-A

Common Name

English

2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (R*,S*-(E))-(±)-

Common Name

English

(±)-VOLIFOLIOL

Common Name

English

FEMA NO. 4661, (4S,3R)-(E)-(±)-

Code

English

2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-((1E,3R)-3-HYDROXY-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-, (4S)-REL-

Common Name

English

Code System Code Type Description

PUBCHEM

5280462

Created by admin on Sat Dec 16 03:58:16 UTC 2023 , Edited by admin on Sat Dec 16 03:58:16 UTC 2023

PRIMARY

CAS

50763-73-0

Created by admin on Sat Dec 16 03:58:16 UTC 2023 , Edited by admin on Sat Dec 16 03:58:16 UTC 2023

PRIMARY

FDA UNII

B7QV234K84

Created by admin on Sat Dec 16 03:58:16 UTC 2023 , Edited by admin on Sat Dec 16 03:58:16 UTC 2023

PRIMARY

SUBSTANCE RECORD


					B7QV234K84

4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, (4S,3R)-(E)-(±)-