ECHIMIDINE

Details

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

SHOW SMILES / InChI

SMILES

C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12

InChI

InChIKey=HRSGCYGUWHGOPY-LYHHMGRNSA-N

InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H31NO7
Molecular Weight	397.4626
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	31NEL09379
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

2-BUTENOIC ACID, 2-METHYL-, 7-((2,3-DIHYDROXY-2-(1- HYDROXYETHYL)-3-METHYL-1-OXOBUTOXY)METHYL)-2,3,5,7A- TETRAHYDRO-1H-PYRROLIZIN-1-YL ESTER

Preferred Name

English

ECHIMIDINE

Common Name

English

L-THREO-PENTITOL, 1,5-DIDEOXY-2-C-METHYL-3-C-((((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-1H-PYRROLIZIN-7-YL)METHOXY)CARBONYL)-

Systematic Name

English

ECHIMIDINE, (+)-

Systematic Name

English

ECHIMIDINE [HSDB]

Common Name

English

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Code System

Code

Type

Description

PUBCHEM

5281729

PRIMARY

EPA CompTox

DTXSID501020028

PRIMARY

FDA UNII

31NEL09379

PRIMARY

CAS

520-68-3

PRIMARY

HSDB

3483

PRIMARY

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