DIGITALIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H56O14
Molecular Weight	712.8214
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=CKNOLMVLQUPVMU-YMMLYESFSA-N

InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H56O14
Molecular Weight	712.8214
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Acenocoumarol and vasculitis: a case report.	2007-01	16981216

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:47:01 GMT 2025` Edited by `admin` on `Mon Mar 31 17:47:01 GMT 2025`
Record UNII	Q15ECE254B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITALINUM

Preferred Name

English

DIGITALIN

Common Name

English

DIGITALINUM TRUE

Common Name

English

Digitalin [WHO-DD]

Common Name

English

DIGITALINUM [HPUS]

Common Name

English

DIGITALINUM VERUM

Common Name

English

(3.BETA.,5.BETA.,16.BETA.)-3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-14,16-DIHYDROXYCARD-20(22)-ENOLIDE

Common Name

English

DIGITALIN [MI]

Common Name

English

SCHMIEDEBERG'S DIGITALIN

Common Name

English

DIGITALIN [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47793