Chemical identity

13-cis-Acitretin Glucuronide

CAS not listed · C27H34O9

01Identity

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

Lazychem IDLC-04162
PubChem CID177829353
Name13-cis-Acitretin Glucuronide
CAS RNNot listed
Molecular formulaC27H34O9
Molecular weight502.56 g/mol
IUPAC name(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(((2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyJBZDSEGJHOGTFE-RGTFYNDESA-N

02Structure identifiers

2D structurePubChem CID 177829353
2D structure: 13-cis-Acitretin Glucuronide
Structure of 13-cis-Acitretin Glucuronide. LazyChem record. Source identity: PubChem CID 177829353. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC27H34O9
InChIKeyJBZDSEGJHOGTFE-RGTFYNDESA-N
Ring count2
Defined stereocentres5
Unassigned stereocentres0
SMILESCC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C\C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC
InChIInChI=1S/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12-/t22-,23-,24+,25-,27+/m1/s1

03Stereochemistry

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

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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 / RCSNOT FOUND IN REVIEWED ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Acitretin

View API and impurity family

Other names

No synonyms are listed.

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