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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

[H][C@]12CCC(C)=C(C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)COS(O)(=O)=O

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

Molecular Formula C20H29O8S
Molecular Weight 429.504
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:34:51 GMT 2023
Edited
by admin
on Sat Dec 16 15:34:51 GMT 2023
Record UNII
558UQ5T459
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE-19-YL SULFATE
Common Name English
Code System Code Type Description
CAS
911206-67-2
Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023
PRIMARY
PUBCHEM
72191955
Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023
PRIMARY
FDA UNII
558UQ5T459
Created by admin on Sat Dec 16 15:34:51 GMT 2023 , Edited by admin on Sat Dec 16 15:34:51 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT