Chemical identity

Rebaudiosido Impurity D

CAS 63279-13-0 · C50H80O28

01Identity

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

Lazychem IDLC-26810
PubChem CID71773169
NameRebaudiosido Impurity D
CAS RN63279-13-0
Molecular formulaC50H80O28
Molecular weight1129.15 g/mol
IUPAC name(4R,4aS,6aR,9S,11aR,11bS)-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl 9-(((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
InChIKeyRPYRMTHVSUWHSV-CUZJHZIBSA-N

02Structure identifiers

2D structurePubChem CID 71773169
Two-dimensional chemical structure of Rebaudiosido Impurity D, CAS 63279-13-0
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)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O
InChINot listed
Formula from structureC50H80O28
Molecular weight from structure1129.15 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 63279-13-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 63279-13-0 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

Rebaudiosido

View associated product family

Other names

  • (4R)-13-[[2-O-(beta-D-Glucopyranosyl)-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy]kaur-16-en-18-oic acid 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester
  • 2-O-beta-D-glucopyranosyl-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta, 8alpha, 9beta, 10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose
  • Rebaudioside D
  • 63279-13-0
  • 1SU114WXBX
  • FEMA NO. 4921
  • CHEBI:145022
  • DTXSID601019860
  • 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, (4alpha)-
  • RefChem:46981
  • DTXCID101477730
  • ((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((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

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