Chemical identity

Mycophenolic Acid Phenolic beta-D-Glucoside

CAS 55533-52-3 · C23H30O11

01Identity

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

Lazychem IDLC-20771
PubChem CID71750874
NameMycophenolic Acid Phenolic beta-D-Glucoside
CAS RN55533-52-3
Molecular formulaC23H30O11
Molecular weight482.49 g/mol
IUPAC name(E)-6-(6-Methoxy-7-methyl-3-oxo-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
InChIKeyPXWZKGRCFSHAMN-OVUIAQIESA-N

02Structure identifiers

2D structurePubChem CID 71750874
Two-dimensional chemical structure of Mycophenolic Acid Phenolic beta-D-Glucoside, CAS 55533-52-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChINot listed
Formula from structureC23H30O11
Molecular weight from structure482.49 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 55533-52-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 55533-52-3 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

Mycophenolic Acid

View associated product family

Other names

  • 6-(4-(beta-D-Glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, (4E)-
  • 55533-52-3
  • UNII-A63Y3157JG
  • Mycophenolic Acid Phenolic beta-D-Glucoside
  • A63Y3157JG
  • (E)-6-[6-methoxy-7-methyl-3-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
  • 4-Hexenoic acid, 6-(4-(beta-D-glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
  • (E)-6-(6-methoxy-7-methyl-3-oxo-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
  • Mycophenolic acid 7-O-glucoside
  • orb2941414
  • Mycophenolic acid-7-O-glucuoside
  • MYCOPHENOLIC ACID GLUCOSIDE

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