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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O6
Molecular Weight 350.4061
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12,13-DEOXYANGUIDINE

SMILES

[H][C@]12O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@](C)(C3=C)[C@@]1(COC(C)=O)CCC(C)=C2

InChI

InChIKey=OFFHSYOFNCNAJM-PXRSPZQOSA-N
InChI=1S/C19H26O6/c1-10-6-7-19(9-23-12(3)20)14(8-10)25-16-11(2)18(19,5)17(15(16)22)24-13(4)21/h8,14-17,22H,2,6-7,9H2,1,3-5H3/t14-,15+,16+,17-,18-,19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
12,13-DEOXYANGUIDINE
Common Name English
TRICHOTHECA-9,12-DIENE-3,4,15-TRIOL, 4,15-DIACETATE, (3.ALPHA.,4.BETA.)-
Systematic Name English
12,13-DEOXYANGUIDIN-
Common Name English
Code System Code Type Description
PUBCHEM
162623569
Created by admin on Sat Dec 16 13:28:47 GMT 2023 , Edited by admin on Sat Dec 16 13:28:47 GMT 2023
PRIMARY
CAS
99531-48-3
Created by admin on Sat Dec 16 13:28:47 GMT 2023 , Edited by admin on Sat Dec 16 13:28:47 GMT 2023
PRIMARY
FDA UNII
6GQ9KT3SXQ
Created by admin on Sat Dec 16 13:28:47 GMT 2023 , Edited by admin on Sat Dec 16 13:28:47 GMT 2023
PRIMARY