GITOXIN

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

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4

InChI

InChIKey=LKRDZKPBAOKJBT-CNPIRKNPSA-N

InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,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	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 `Fri Dec 15 15:44:35 UTC 2023` Edited by `admin` on `Fri Dec 15 15:44:35 UTC 2023`
Record UNII	VOR2TD6SO4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GITOXIN

Common Name

English

NSC-95099

Code

English

(3.BETA.,5.BETA.,16.BETA.)-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)-14,16-DIHYDROXYCARD-20(22)-ENOLIDE

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)-14,16.BETA.-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE

Systematic Name

English

ANHYDROGITALIN

Common Name

English

BIGITALIN

Common Name

English

GITOXIN [MI]

Common Name

English

PSEUDODIGITOXIN

Common Name

English

Gitoxin [WHO-DD]

Common Name

English

Code System Code Type Description

CHEBI

28503