Coronatine, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO4
Molecular Weight	319.3954
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC(=O)[C@@]1([H])C[C@@H](CC)C=C2C(=O)N[C@]3(C[C@@H]3CC)C(O)=O

InChI

InChIKey=FMGBNISRFNDECK-CZSBRECXSA-N

InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO4
Molecular Weight	319.3954
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:39:51 GMT 2023` Edited by `admin` on `Sat Dec 16 18:39:51 GMT 2023`
Record UNII	WCR4XUE8VB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Coronatine, (+)-

Common Name

English

(+)-Coronatine

Common Name

English

Cyclopropanecarboxylic acid, 2-ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]-, (1S,2S)-

Systematic Name

English

CORONATINE

Common Name

English

(1S,2S)-2-Ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]cyclopropanecarboxylic acid

Systematic Name

English

Cyclopropanecarboxylic acid, 2-ethyl-1-[[(6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl)carbonyl]amino]-, [3aS-[3aα,4(1R*,2R*),6β,7aα]]-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Coronatine