U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O7
Molecular Weight 482.5654
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEDUNIN

SMILES

[H][C@@]12C[C@@H](OC(C)=O)[C@]3(C)[C@]([H])(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C6=COC=C6)[C@@]1(C)C=CC(=O)C2(C)C

InChI

InChIKey=YJXDGWUNRYLINJ-BHAPSIHVSA-N
InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
GEDUNIN
Common Name English
D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5α,7α,13α,14β,15β,17aα)-
Systematic Name English
NSC-113497
Code English
Code System Code Type Description
EPA CompTox
DTXSID3041033
Created by admin on Sat Dec 16 08:57:25 GMT 2023 , Edited by admin on Sat Dec 16 08:57:25 GMT 2023
PRIMARY
NSC
113497
Created by admin on Sat Dec 16 08:57:25 GMT 2023 , Edited by admin on Sat Dec 16 08:57:25 GMT 2023
PRIMARY
FDA UNII
VH4BN8F5Z5
Created by admin on Sat Dec 16 08:57:25 GMT 2023 , Edited by admin on Sat Dec 16 08:57:25 GMT 2023
PRIMARY
PUBCHEM
5701985
Created by admin on Sat Dec 16 08:57:25 GMT 2023 , Edited by admin on Sat Dec 16 08:57:25 GMT 2023
PRIMARY
CAS
2753-30-2
Created by admin on Sat Dec 16 08:57:25 GMT 2023 , Edited by admin on Sat Dec 16 08:57:25 GMT 2023
PRIMARY