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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H80O28
Molecular Weight 1129.1534
Optical Activity UNSPECIFIED
Defined Stereocenters 31 / 31
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REBAUDIOSIDE D

SMILES

[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]4([H])[C@@](C)(CCC[C@@]24C)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O

InChI

InChIKey=RPYRMTHVSUWHSV-CUZJHZIBSA-N
InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,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+,47-,48-,49-,50+/m1/s1

HIDE SMILES / InChI

Molecular Formula C50H80O28
Molecular Weight 1129.1534
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 31 / 31
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:04 GMT 2023
Record UNII
1SU114WXBX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REBAUDIOSIDE D
MI   USP-RS  
Common Name English
(-)-REBAUDIOSIDE D
Common Name English
REBD
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)-, 2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-
Systematic Name English
REBAUDIOSIDE D, (-)-
Common Name English
FEMA NO. 4921
Code English
REBAUDIOSIDE D [MI]
Common Name English
Code System Code Type Description
GRAS Notification (GRN No.)
764
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
MERCK INDEX
m9513
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY Merck Index
GRAS Notification (GRN No.)
548
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
SMS_ID
100000182011
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID601019860
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
FDA UNII
1SU114WXBX
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
CHEBI
145022
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
CAS
63279-13-0
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
715
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
456
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
PUBCHEM
71773169
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Isolated stevia sweetener, produced by the extraction of STEVIA REBAUDIANA leaves by hot water and powdering.