GITOXIGENIN 3-O-.BETA.-D-DIGITALOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O9
Molecular Weight	550.6808
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GITOXIGENIN 3-O-.BETA.-D-DIGITALOSIDE

Structure Search

SMILES

CO[C@H]1[C@@H](O)[C@@H](C)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)[C@@H]1O

InChI

InChIKey=CPFNIKYEDJFRAT-RVPZLBNISA-N

InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O9
Molecular Weight	550.6808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:15:56 GMT 2025` Edited by `admin` on `Mon Mar 31 20:15:56 GMT 2025`
Record UNII	P5SQ9U79A5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GITOXIGENIN 3-O-.BETA.-D-DIGITALOSIDE

Common Name

English

GITOXIGENIN 3-O-MONODIGITALOSIDE

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90974903