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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H32O16
Molecular Weight 504.4371
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTIANOSE

SMILES

OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

InChI

InChIKey=MUPFEKGTMRGPLJ-WSCXOGSTSA-N
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H32O16
Molecular Weight 504.4371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:33:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:07 GMT 2023
Record UNII
I0ZQ61S45F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GENTIANOSE
Common Name English
.ALPHA.-D-GLUCOPYRANOSIDE, .BETA.-D-FRUCTOFURANOSYL O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-
Systematic Name English
Code System Code Type Description
FDA UNII
I0ZQ61S45F
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY
PUBCHEM
117678
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY
CHEBI
28782
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY
CAS
25954-44-3
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID401318513
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
247-364-9
Created by admin on Sat Dec 16 09:33:07 GMT 2023 , Edited by admin on Sat Dec 16 09:33:07 GMT 2023
PRIMARY