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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H66O14
Molecular Weight 782.9543
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDRODIGOXIN

SMILES

[H][C@]1(COC(=O)C1)[C@@]2([H])CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])C[C@@H](O)[C@]23C)O[C@@]6([H])C[C@H](O)[C@H](O[C@@]7([H])C[C@H](O)[C@H](O[C@@]8([H])C[C@H](O)[C@H](O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=QYVJGQUFXQMOOE-STPZNEFBSA-N
InChI=1S/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H66O14
Molecular Weight 782.9543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 22 / 22
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:11 GMT 2023
Record UNII
42R45Q8ZZ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDRODIGOXIN
Common Name English
20,22-DIHYDRODIGOXIN
Common Name English
CARDANOLIDE, 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)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
5297-10-9
Created by admin on Sat Dec 16 09:27:11 GMT 2023 , Edited by admin on Sat Dec 16 09:27:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-144-6
Created by admin on Sat Dec 16 09:27:12 GMT 2023 , Edited by admin on Sat Dec 16 09:27:12 GMT 2023
PRIMARY
FDA UNII
42R45Q8ZZ2
Created by admin on Sat Dec 16 09:27:12 GMT 2023 , Edited by admin on Sat Dec 16 09:27:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID40967441
Created by admin on Sat Dec 16 09:27:12 GMT 2023 , Edited by admin on Sat Dec 16 09:27:12 GMT 2023
PRIMARY
CHEBI
71002
Created by admin on Sat Dec 16 09:27:11 GMT 2023 , Edited by admin on Sat Dec 16 09:27:11 GMT 2023
PRIMARY
PUBCHEM
92043458
Created by admin on Sat Dec 16 09:27:12 GMT 2023 , Edited by admin on Sat Dec 16 09:27:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA