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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O5
Molecular Weight 388.4972
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OXODIGOXIGENIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CCC(=O)C2

InChI

InChIKey=POWMMMXVDBMFMP-QPMAGJLNSA-N
InChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H32O5
Molecular Weight 388.4972
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:51 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:51 GMT 2023
Record UNII
DVS6F48Y72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OXODIGOXIGENIN
Common Name English
3-KETODIGOXIGENIN
Common Name English
3-DIGOXIGENONE
Common Name English
12.BETA.,14.BETA.-DIHYDROXY-3-OXO-5.BETA.,14.BETA.-CARD-20(22)-ENOLIDE
Systematic Name English
CARD-20(22)-ENOLIDE, 12,14-DIHYDROXY-3-OXO-, (5.BETA.,12.BETA.)-
Systematic Name English
3-DEHYDRODIGOXIGENIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10963218
Created by admin on Sat Dec 16 09:46:51 GMT 2023 , Edited by admin on Sat Dec 16 09:46:51 GMT 2023
PRIMARY
CAS
4442-17-5
Created by admin on Sat Dec 16 09:46:51 GMT 2023 , Edited by admin on Sat Dec 16 09:46:51 GMT 2023
PRIMARY
PUBCHEM
12113849
Created by admin on Sat Dec 16 09:46:51 GMT 2023 , Edited by admin on Sat Dec 16 09:46:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-667-4
Created by admin on Sat Dec 16 09:46:51 GMT 2023 , Edited by admin on Sat Dec 16 09:46:51 GMT 2023
PRIMARY
FDA UNII
DVS6F48Y72
Created by admin on Sat Dec 16 09:46:51 GMT 2023 , Edited by admin on Sat Dec 16 09:46:51 GMT 2023
PRIMARY
Related Record Type Details
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