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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO7
Molecular Weight 397.4634
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ECHIMIDINE

SMILES

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

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 397.4634
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 Jun 26 11:40:29 UTC 2021
Edited
by admin
on Sat Jun 26 11:40:29 UTC 2021
Record UNII
31NEL09379
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECHIMIDINE
HSDB  
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
Created by admin on Sat Jun 26 11:40:29 UTC 2021 , Edited by admin on Sat Jun 26 11:40:29 UTC 2021
PRIMARY
FDA UNII
31NEL09379
Created by admin on Sat Jun 26 11:40:29 UTC 2021 , Edited by admin on Sat Jun 26 11:40:29 UTC 2021
PRIMARY
CAS
520-68-3
Created by admin on Sat Jun 26 11:40:29 UTC 2021 , Edited by admin on Sat Jun 26 11:40:29 UTC 2021
PRIMARY
HSDB
3483
Created by admin on Sat Jun 26 11:40:29 UTC 2021 , Edited by admin on Sat Jun 26 11:40:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT