Chemical identity

Rebaudioside

CAS 1220616-34-1 · C50H80O28

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-101247
PubChem CID92023627
NameRebaudioside
CAS RN1220616-34-1
Molecular formulaC50H80O28
Molecular weight1129.2 g/mol
IUPAC name[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
InChIKeyBSVKOVOOJNJHBR-PBQKZBBNSA-N

02Structure identifiers

2D structurePubChem CID 92023627
Two-dimensional chemical structure of Rebaudioside, CAS 1220616-34-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 9 rings, includes aliphatic carbon, has 31 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres31
Unassigned stereocentres0
Ring count9
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O
InChINot listed
Formula from structureC50H80O28
Molecular weight from structure1129.2 g/mol

03Stereochemistry

The published structure contains 31 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres31Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^31Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1220616-34-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1220616-34-1 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • Rebaudioside !
  • REBAUDIOSIDE I
  • 1220616-34-1
  • Fema No. 4937
  • 1U83C5T5N8
  • UNII-1U83C5T5N8
  • 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, (4alpha)-
  • RefChem:45986
  • orb1707848
  • SCHEMBL29363473
  • DTXSID901347268
  • HY-N6889

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources