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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O8S
Molecular Weight 430.512
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE

SMILES

CC1=C(C\C=C2/[C@H](O)COC2=O)[C@]3(C)CC[C@@H](O)[C@@](C)(COS(O)(=O)=O)[C@H]3CC1

InChI

InChIKey=CSRMQJYCEWECBJ-UOWHFJIKSA-N
InChI=1S/C20H30O8S/c1-12-4-7-16-19(2,14(12)6-5-13-15(21)10-27-18(13)23)9-8-17(22)20(16,3)11-28-29(24,25)26/h5,15-17,21-22H,4,6-11H2,1-3H3,(H,24,25,26)/b13-5+/t15-,16+,17-,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE
Preferred Name English
Code System Code Type Description
CAS
911206-67-2
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY
PUBCHEM
72191955
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY
FDA UNII
558UQ5T459
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY