Chemical identity

(4a)-13-[(2-O-ß-D-Glucopyranosyl-ß-D-glucopyranosyl)oxy]kaur-16-en-18-oic Acid ß-D-Glucopyranosyl Ester / Steviol glycosides

CAS 57817-89-7 · C38H60O18

01Identity

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

Lazychem IDLC-00344
PubChem CID442089
Name(4a)-13-[(2-O-ß-D-Glucopyranosyl-ß-D-glucopyranosyl)oxy]kaur-16-en-18-oic Acid ß-D-Glucopyranosyl Ester / Steviol glycosides
CAS RN57817-89-7
Molecular formulaC38H60O18
Molecular weight804.87 g/mol
IUPAC name(4R,7R,10R,11bS)-(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 10-(((2S,3R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,11b-dimethyl-9-methylenetetradecahydro-1H-7,10-methanocyclohepta[a]naphthalene-4-carboxylate
InChIKeyUEDUENGHJMELGK-HYDKPPNVSA-N

02Structure identifiers

2D structurePubChem CID 442089
Two-dimensional chemical structure of (4a)-13-[(2-O-ß-D-Glucopyranosyl-ß-D-glucopyranosyl)oxy]kaur-16-en-18-oic Acid ß-D-Glucopyranosyl Ester / Steviol glycosides, CAS 57817-89-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aliphatic carbon, has 21 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres21
Unassigned stereocentres0
Ring count7
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)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChINot listed
Formula from structureC38H60O18
Molecular weight from structure804.87 g/mol

03Stereochemistry

The published structure contains 21 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres21Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^21Before 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 57817-89-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 57817-89-7 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

Chemical

View associated product family

Other names

  • (4a)-13-[(2-O-ß-D-Glucopyranosyl-ß-D-glucopyranosyl)oxy]kaur-16-en-18-oic Acid ß-D-Glucopyranosyl Ester
  • STEVIBIOSIDE
  • 1-O-(13alpha-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose
  • 13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid beta-D-glucopyranosyl ester
  • KAUR-16-EN-18-OIC ACID, 13-((2-O-beta-D-GLUCOPYRANOSYL-beta-D-GLUCOPYRANOSYL)OXY)-, beta-D-GLUCOPYRANOSYL ESTER, (4alpha)-

Related records from the same parent family

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