SYMPHYTINE N-OXIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C20H31NO7
Molecular Weight	397.4626
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12

InChI

InChIKey=MTHHNSCIBYQVSB-FMYLHMKPSA-N

InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-16-8-10-21(26)9-7-15(17(16)21)11-27-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H31NO7
Molecular Weight	397.4626
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:30:49 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:49 GMT 2025`
Record UNII	5VJM4U4L80
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SYMPHYTINE N-OXIDE

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, (1R,7AR)-2,3,5,7A-TETRAHYDRO-7-(((2S)-2-HYDROXY-2-((1S)-1-HYDROXYETHYL)-3-METHYL-1-OXOBUTOXY)METHYL)-4-OXIDO-1H-PYRROLIZIN-1-YL ESTER, (2E)-

Preferred Name

English

7-TIGLYL-9-VIRIDIFLORYLRETRONECINE N-OXIDE

Systematic Name

English

Code System Code Type Description

CHEBI

63917