DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H44O7
Molecular Weight	504.6555
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE

Structure Search

SMILES

[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)C6=CC(=O)OC6

InChI

InChIKey=NQOMDNMTNVQXRR-WQLPVBBFSA-N

InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23+,25+,26-,27+,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H44O7
Molecular Weight	504.6555
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:09:38 GMT 2023` Edited by `admin` on `Sat Dec 16 18:09:38 GMT 2023`
Record UNII	R83CK7MGW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE

Common Name

English

(3.BETA.,5.BETA.)-3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE

Systematic Name

English

CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-

Systematic Name

English

D-RIBO-HEXOPYRANOSIDE, DIGITOXIGENIN-3 2,6-DIDEOXY-, .BETA.-

Common Name

English

4-((1R,3AS,3BR,5AR,7S,9AS,9BS,11AR)-7-(((2R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL)OXY)-3A-HYDROXY-9A,11A-DIMETHYL-HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-1-YL)-2,5-DIHYDROFURAN-2-ONE

Systematic Name

English

EVATROMONOSIDE

Common Name

English

DIGITOXIGENIN MONODIGITOXOSIDE

Common Name

English

Code System Code Type Description

PUBCHEM

11961867