DIGINATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H64O15
Molecular Weight	796.9379
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@@H](O)C[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)C8=CC(=O)OC8

InChI

InChIKey=AASCKLXRKILUGL-KDVLELMDSA-N

InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H64O15
Molecular Weight	796.9379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:08 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:08 GMT 2023`
Record UNII	41E2842504
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGINATIN

Common Name

English

CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14,16-TRIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.,16.BETA.)-

Common Name

English

3.BETA.-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)- 12.BETA.,14,16.BETA.-TRIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE (DIGINATIN)

Systematic Name

English

DIGINATIN [MI]

Common Name

English

DIGOXIN IMPURITY F [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

41E2842504