3-METHYL-4-PENTANOLIDE, (3R,4S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H10O2
Molecular Weight	114.1424
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-4-PENTANOLIDE, (3R,4S)-

Structure Search

SMILES

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

InChI

InChIKey=PXIPZIPSDBXFQR-UHNVWZDZSA-N

InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C6H10O2
Molecular Weight	114.1424
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 `Sat Dec 16 08:30:48 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:48 GMT 2023`
Record UNII	081P4H17F6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYL-4-PENTANOLIDE, (3R,4S)-

Common Name

English

(3R,4S)-3-METHYL-4-PENTANOLIDE, (-)-

Common Name

English

2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-, (4R-TRANS)-

Systematic Name

English

(3R,4S)-3-METHYL-4-PENTANOLIDE

Common Name

English

2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-, (4R,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

081P4H17F6

Created by admin on Sat Dec 16 08:30:48 GMT 2023 , Edited by admin on Sat Dec 16 08:30:48 GMT 2023

PRIMARY

PUBCHEM

10877087

Created by admin on Sat Dec 16 08:30:48 GMT 2023 , Edited by admin on Sat Dec 16 08:30:48 GMT 2023

PRIMARY

CAS

110171-22-7

Created by admin on Sat Dec 16 08:30:48 GMT 2023 , Edited by admin on Sat Dec 16 08:30:48 GMT 2023

PRIMARY

Related Record Type Details


					6YR2608RSU

TOBACCO LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Oriental tobacco is a sun-cured, highly aromatic, small-leafed variety (Nicotiana tabacum) that is grown in Turkey, Greece, Bulgaria, Lebanon, and the Republic of Macedonia. https://en.wikipedia.org/wiki/Types_of_tobacco