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

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H90O33
Molecular Weight 1291.294
Optical Activity UNSPECIFIED
Defined Stereocenters 36 / 36
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REBAUDIOSIDE M

SMILES

[H][C@@]%10(O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@]2(C)CCC[C@@]3(C)[C@]4([H])CC[C@@]5(C[C@]4(CC5=C)CC[C@]23[H])O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]1O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O

InChI

InChIKey=GSGVXNMGMKBGQU-PHESRWQRSA-N
InChI=1S/C56H90O33/c1-19-11-55-9-5-26-53(2,7-4-8-54(26,3)52(77)88-50-44(86-48-40(75)36(71)30(65)22(14-59)80-48)42(32(67)24(16-61)82-50)84-46-38(73)34(69)28(63)20(12-57)78-46)27(55)6-10-56(19,18-55)89-51-45(87-49-41(76)37(72)31(66)23(15-60)81-49)43(33(68)25(17-62)83-51)85-47-39(74)35(70)29(64)21(13-58)79-47/h20-51,57-76H,1,4-18H2,2-3H3/t20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+,50+,51+,53-,54-,55-,56+/m1/s1

HIDE SMILES / InChI

Molecular Formula C56H90O33
Molecular Weight 1291.294
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 36 / 36
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:45 GMT 2023
Record UNII
FQA8XMC4XJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REBAUDIOSIDE M
Common Name English
FEMA NO. 4922
Code English
FEMA NO. 4895
Code English
REBAUDIOSIDE X
Common Name English
KAUR-16-EN-18-OIC ACID, 13-((O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSYL)OXY)-, O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-
Systematic Name English
Code System Code Type Description
GRAS Notification (GRN No.)
812
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
WIKIPEDIA
Rebaudioside A
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
CAS
1220616-44-3
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
799
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
FDA UNII
FQA8XMC4XJ
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
667
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
780
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
PUBCHEM
92023628
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
867
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
CHEBI
145019
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID701019863
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
512
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
1010
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
882
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
846
Created by admin on Sat Dec 16 09:46:45 GMT 2023 , Edited by admin on Sat Dec 16 09:46:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT