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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13NO4
Molecular Weight 235.2359
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIROSAINE A

SMILES

[H][C@]12CC[C@]3([H])N1O[C@]4([H])[C@@]2([H])C5=CC(=O)O[C@]35C[C@@]4([H])O

InChI

InChIKey=FSDTUOKRYYZAQY-AEAJCJRFSA-N
InChI=1S/C12H13NO4/c14-7-4-12-5(3-9(15)16-12)10-6-1-2-8(12)13(6)17-11(7)10/h3,6-8,10-11,14H,1-2,4H2/t6-,7-,8+,10+,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H13NO4
Molecular Weight 235.2359
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:07 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:07 GMT 2023
Record UNII
W9QR5T87XW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIROSAINE A
Common Name English
(1R,2S,3AR,4R,5AS,8BS,9S)-1,3A,4,8B-TETRAHYDRO-4-HYDROXY-5H,7H-1,2,5A-(1)PROPANYL(3)YLIDENEFURO(3,2-E)(1,2)BENZISOXAZOL-7-ONE
Systematic Name English
VIROSAINE A [MI]
Common Name English
5H,7H-1,2,5A-(1)PROPANYL(3)YLIDENEFURO(3,2-E)(1,2)BENZISOXAZOL-7-ONE, 1,3A,4,8B-TETRAHYDRO-4-HYDROXY-, (1R,2S,3AR,4R,5AS,8BS,9S)-
Systematic Name English
(-)-VIROSAINE A
Common Name English
Code System Code Type Description
CAS
1380311-06-7
Created by admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
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PUBCHEM
60154178
Created by admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
PRIMARY
FDA UNII
W9QR5T87XW
Created by admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
PRIMARY
MERCK INDEX
m11879
Created by admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
PRIMARY