ECHINATINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H25NO5
Molecular Weight	299.3627
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O

InChI

InChIKey=SFVVQRJOGUKCEG-DNVSUFBTSA-N

InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H25NO5
Molecular Weight	299.3627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:48:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:48:33 GMT 2023`
Record UNII	743IO8EFVG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECHINATINE

Common Name

English

BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((1S,7AR)-2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2S,3S)-

Systematic Name

English

(+)-ECHINATINE

Common Name

English

NSC-89937

Code

English

BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1S-(1.ALPHA.,7(2R*,3R*),7A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

743IO8EFVG