REBAUDIOSIDE I

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 Search

SMILES

C[C@@]12CCC[C@](C)([C@H]1CC[C@@]34CC(=C)[C@@](C3)(CC[C@@H]24)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O

InChI

InChIKey=BSVKOVOOJNJHBR-PBQKZBBNSA-N

InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-37(67)38(29(59)22(15-54)72-44)74-41-34(64)31(61)26(56)19(12-51)69-41)25(49)6-10-50(18,17-49)78-45-40(76-43-36(66)33(63)28(58)21(14-53)71-43)39(30(60)23(16-55)73-45)75-42-35(65)32(62)27(57)20(13-52)70-42/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 `Mon Mar 31 22:50:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:21 GMT 2025`
Record UNII	1U83C5T5N8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REBAUDIOSIDE I

Common Name

English

FEMA NO. 4937

Preferred 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)-, 3-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901347268