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

Structure Search

SMILES

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

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:34:18 GMT 2023` Edited by `admin` on `Sat Dec 16 08:34:18 GMT 2023`
Record UNII	31NEL09379
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

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

Common Name

English

ECHIMIDINE, (+)-

Systematic Name

English

ECHIMIDINE [HSDB]

Common Name

English

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, (1R- (1.ALPHA.(Z),7(2R*,3S*),7A.BETA.))-

Systematic 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-BUTENYL)OXY)-1H-PYRROLIZIN-7-YL)METHOXY)CARBONYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5281729