LACTOBACILLIC ACID METHYL ESTER

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H38O2
Molecular Weight	310.5145
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LACTOBACILLIC ACID METHYL ESTER

Structure Search

SMILES

CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC

InChI

InChIKey=HASAQWANQLNRRS-RBUKOAKNSA-N

InChI=1S/C20H38O2/c1-3-4-5-11-14-18-17-19(18)15-12-9-7-6-8-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H38O2
Molecular Weight	310.5145
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 `Mon Mar 31 21:00:16 GMT 2025` Edited by `admin` on `Mon Mar 31 21:00:16 GMT 2025`
Record UNII	F932BKF036
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LACTOBACILLIC ACID METHYL ESTER [MI]

Preferred Name

English

LACTOBACILLIC ACID METHYL ESTER

Common Name

English

LACTOBACILLIC ACID, METHYL ESTER

Systematic Name

English

CYCLOPROPANEDECANOIC ACID, 2-HEXYL-, METHYL ESTER, (1R,2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

F932BKF036

Created by admin on Mon Mar 31 21:00:16 GMT 2025 , Edited by admin on Mon Mar 31 21:00:16 GMT 2025

PRIMARY

CAS

5965-63-9

Created by admin on Mon Mar 31 21:00:16 GMT 2025 , Edited by admin on Mon Mar 31 21:00:16 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

11197684

Created by admin on Mon Mar 31 21:00:16 GMT 2025 , Edited by admin on Mon Mar 31 21:00:16 GMT 2025

PRIMARY

MERCK INDEX

m6660

Created by admin on Mon Mar 31 21:00:16 GMT 2025 , Edited by admin on Mon Mar 31 21:00:16 GMT 2025

PRIMARY

Merck Index

CAS

112418-57-2

Created by admin on Mon Mar 31 21:00:16 GMT 2025 , Edited by admin on Mon Mar 31 21:00:16 GMT 2025

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