NEODIGOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H64O14
Molecular Weight	780.9385
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C

InChI

InChIKey=LTMHDMANZUZIPE-TUIWDEEUSA-N

InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H64O14
Molecular Weight	780.9385
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:42:00 GMT 2025` Edited by `admin` on `Wed Apr 02 10:42:00 GMT 2025`
Record UNII	LAG64AW52Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGOXIN IMPURITY G [EP IMPURITY]

Preferred Name

English

NEODIGOXIN

Common Name

English

CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-

Systematic Name

English

3.BETA.-((2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE

Systematic Name

English

Code System Code Type Description

CAS

96386-77-5

Created by admin on Wed Apr 02 10:42:00 GMT 2025 , Edited by admin on Wed Apr 02 10:42:00 GMT 2025

PRIMARY

PUBCHEM

12940972

Created by admin on Wed Apr 02 10:42:00 GMT 2025 , Edited by admin on Wed Apr 02 10:42:00 GMT 2025

PRIMARY

PUBCHEM

FDA UNII

LAG64AW52Y

Created by admin on Wed Apr 02 10:42:00 GMT 2025 , Edited by admin on Wed Apr 02 10:42:00 GMT 2025

PRIMARY

CAS

55576-67-5

Created by admin on Wed Apr 02 10:42:00 GMT 2025 , Edited by admin on Wed Apr 02 10:42:00 GMT 2025

NO STRUCTURE GIVEN