Glucodigitoxin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H74O18
Molecular Weight	927.0797
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=BZJBLHNKKRCQEQ-ZFCLPHBQSA-N

InChI=1S/C47H74O18/c1-21-41(63-36-17-31(50)42(22(2)59-36)64-37-18-32(51)43(23(3)60-37)65-44-40(55)39(54)38(53)33(19-48)62-44)30(49)16-35(58-21)61-26-8-11-45(4)25(15-26)6-7-29-28(45)9-12-46(5)27(10-13-47(29,46)56)24-14-34(52)57-20-24/h14,21-23,25-33,35-44,48-51,53-56H,6-13,15-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C47H74O18
Molecular Weight	927.0797
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:43 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:43 GMT 2023`
Record UNII	L9D69XZ4TF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Glucodigitoxin

Common Name

English

(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

Systematic Name

English

Purpurea glycoside A

Common Name

English

Desacetyldigilanide A

Common Name

English

Deslanoside A

Common Name

English

Purpureaglycoside A

Common Name

English

Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)-

Systematic Name

English

D-ribo-Hexopyranoside, digitoxigenin-3 O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-, β-

Systematic Name

English

Deacetyllanatoside A

Common Name

English

Code System Code Type Description

FDA UNII

L9D69XZ4TF

Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023

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EPA CompTox

DTXSID201315399

Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023

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CAS

19855-40-4

Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023

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PUBCHEM

13178063

Created by admin on Sat Dec 16 19:28:43 GMT 2023 , Edited by admin on Sat Dec 16 19:28:43 GMT 2023

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