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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O6
Molecular Weight 466.567
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYGEDUNIN

SMILES

CC(=O)O[C@]1([H])C[C@@]2([H])C(C)(C)C(=O)C=C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=CC(=O)O[C@@]4([H])c5ccoc5)[C@@]31C

InChI

InChIKey=VOUDTVRGPAGHGA-SQIPALKSSA-N
InChI=1S/C28H34O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h8-9,11-12,14-15,18-19,22,24H,7,10,13H2,1-6H3/t18-,19+,22-,24+,26-,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H34O6
Molecular Weight 466.567
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 Fri Jun 25 20:48:29 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:29 UTC 2021
Record UNII
Z8ANY33BM5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEOXYGEDUNIN
Common Name English
(1R,4BR,5R,6AR,10AR,10BR,12AR)-5-(ACETYLOXY)-1-(3-FURANYL)-1,5,6,6A,7,10A,10B,11,12,12A-DECAHYDRO-4B,7,7,10A,12A-PENTAMETHYL-3H-PHENANTHRO(2,1-C)PYRAN-3,8(4BH)-DIONE
Common Name English
16,17-SECO-24-NORCHOLA-1,14,20,22-TETRAEN-16-OIC ACID, 7-(ACETYLOXY)-21,23-EPOXY-17-HYDROXY-4,4,8-TRIMETHYL-3-OXO-, .DELTA.-LACTONE, (5.ALPHA.,7.ALPHA.,13.ALPHA.,17.ALPHA.)-
Systematic Name English
D-HOMO-24-NOR-17-OXACHOLA-1,14,20,22-TETRAENE-3,16-DIONE, 7-(ACETYLOXY)-21,23-EPOXY-4,4,8-TRIMETHYL-, (5.ALPHA.,7.ALPHA.,13.ALPHA.,17A.ALPHA.)-
Common Name English
DEOXYGEDUNIUN
Common Name English
8.BETA.-PODOCARP-1-ENE-.DELTA.14,.ALPHA.-ACETIC ACID, 13.BETA.-(3-FURYLHYDROXYMETHYL)-7.ALPHA.-HYDROXY-8,13-DIMETHYL-3-OXO-, 14,13-LACTONE, ACETATE
Systematic Name English
NSC-309913
Code English
3H-PHENANTHRO(2,1-C)PYRAN-3,8(4BH)-DIONE, 5-(ACETYLOXY)-1-(3-FURANYL)-1,5,6,6A,7,10A,10B,11,12,12A-DECAHYDRO-4B,7,7,10A,12A-PENTAMETHYL-, (1R,4BR,5R,6AR,10AR,10BR,12AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23241800
Created by admin on Fri Jun 25 20:48:29 UTC 2021 , Edited by admin on Fri Jun 25 20:48:29 UTC 2021
PRIMARY
FDA UNII
Z8ANY33BM5
Created by admin on Fri Jun 25 20:48:29 UTC 2021 , Edited by admin on Fri Jun 25 20:48:29 UTC 2021
PRIMARY
CAS
21963-95-1
Created by admin on Fri Jun 25 20:48:29 UTC 2021 , Edited by admin on Fri Jun 25 20:48:29 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST