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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O6
Molecular Weight 414.4914
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11,19-EPOXY-14-HYDROXY-11-METHOXY-3-OXO-CARDA-4,20(22)-DIENOLIDE, (11.BETA.)-

SMILES

[H][C@]12[C@@]3([H])CCC4=CC(=O)CC[C@]14CO[C@]2(C[C@]5(C)[C@H](CC[C@]35O)C6=CC(=O)OC6)OC

InChI

InChIKey=PGKJNAXCLTZKDU-SJVQXUKVSA-N
InChI=1S/C24H30O6/c1-21-12-24(28-2)20-18(4-3-15-10-16(25)5-7-22(15,20)13-30-24)23(21,27)8-6-17(21)14-9-19(26)29-11-14/h9-10,17-18,20,27H,3-8,11-13H2,1-2H3/t17-,18-,20+,21-,22-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H30O6
Molecular Weight 414.4914
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:53 GMT 2023
Record UNII
H2NL9GD4KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11,19-EPOXY-14-HYDROXY-11-METHOXY-3-OXO-CARDA-4,20(22)-DIENOLIDE, (11.BETA.)-
Systematic Name English
NSC-65944
Code English
CARDA-4,20(22)-DIENOLIDE, 14,19-DIHYDROXY-3,11-DIOXO-, 11,19-CYCLIC METHYL ACETAL
Systematic Name English
CARDADIENOLIDE,11B,L9-EPOXY-14-HYDROXY-
Common Name English
CARDA-4,20(22)-DIENOLIDE, 11,19-EPOXY-14-HYDROXY-11-METHOXY-3-OXO-, (11.BETA.)-
Systematic Name English
Code System Code Type Description
NSC
65944
Created by admin on Sat Dec 16 08:13:53 GMT 2023 , Edited by admin on Sat Dec 16 08:13:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID60989625
Created by admin on Sat Dec 16 08:13:53 GMT 2023 , Edited by admin on Sat Dec 16 08:13:53 GMT 2023
PRIMARY
CAS
6957-74-0
Created by admin on Sat Dec 16 08:13:53 GMT 2023 , Edited by admin on Sat Dec 16 08:13:53 GMT 2023
PRIMARY
PUBCHEM
131883564
Created by admin on Sat Dec 16 08:13:53 GMT 2023 , Edited by admin on Sat Dec 16 08:13:53 GMT 2023
PRIMARY
FDA UNII
H2NL9GD4KH
Created by admin on Sat Dec 16 08:13:53 GMT 2023 , Edited by admin on Sat Dec 16 08:13:53 GMT 2023
PRIMARY