1-(5-Phenylpentyl)camphoric acid

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H30O4
Molecular Weight	346.4605
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(5-Phenylpentyl)camphoric acid

Structure Search

SMILES

CC1(C)[C@H](CC[C@@]1(C)C(=O)OCCCCCC2=CC=CC=C2)C(O)=O

InChI

InChIKey=NHJSTRPEDUDKLT-UTKZUKDTSA-N

InChI=1S/C21H30O4/c1-20(2)17(18(22)23)13-14-21(20,3)19(24)25-15-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,22,23)/t17-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O4
Molecular Weight	346.4605
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 20:25:00 GMT 2025` Edited by `admin` on `Wed Apr 02 20:25:00 GMT 2025`
Record UNII	64CAB88LBJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 1-(5-phenylpentyl) ester, (1R,3S)-rel-

Preferred Name

English

1-(5-Phenylpentyl)camphoric acid

Common Name

English

rel-1-(5-Phenylpentyl) (1R,3S)-1,2,2-trimethyl-1,3-cyclopentanedicarboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

64CAB88LBJ

Created by admin on Wed Apr 02 20:25:00 GMT 2025 , Edited by admin on Wed Apr 02 20:25:00 GMT 2025

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CAS

758630-19-2

Created by admin on Wed Apr 02 20:25:00 GMT 2025 , Edited by admin on Wed Apr 02 20:25:00 GMT 2025

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Related Record Type Details


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Sodium 1-(5-phenylpentyl)camphorate

SALT/SOLVATE -> PARENT

Amount: