Chemical identity

Josamycin EP Impurity K / Leucomycin A6

CAS 18361-48-3 · C40H65NO15

01Identity

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

Lazychem IDLC-17785
PubChem CID11954019
NameJosamycin EP Impurity K / Leucomycin A6
CAS RN18361-48-3
Molecular formulaC40H65NO15
Molecular weight799.94 g/mol
IUPAC name(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-(Acetyloxy)-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-4-O-propanoyl-a-L-ribo-hexopyranosyl)-3-(dimethylamino)-ß-D-glucopyranosyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-2-one
InChIKeyABTSKZKCMFRYNP-HUFPKKMTSA-N

02Structure identifiers

2D structurePubChem CID 11954019
2D structure: Josamycin EP Impurity K / Leucomycin A6, CAS 18361-48-3
Structure of Josamycin EP Impurity K / Leucomycin A6 (CAS 18361-48-3). LazyChem record. Source identity: PubChem CID 11954019. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC40H65NO15
InChIKeyABTSKZKCMFRYNP-HUFPKKMTSA-N
Ring count3
Defined stereocentres16
Unassigned stereocentres0
SMILESCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)C)C)O)C)CC=O)C)C
InChIInChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12+,16-14+/t22-,23-,24-,25+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1

03Stereochemistry

The published structure contains 16 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres162D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 65,536Before 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Josamycin EP Impurity K / Leucomycin A6, CAS 18361-48-3
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 ENTRIESCAS 18361-48-3 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 18361-48-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Josamycin

View API and impurity family

Other names

  • Josamycin EP Impurity K
  • Leucomycin A6
  • Turimycin A3
  • (6-(6-(((4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl)oxy)-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2,4-dimethyloxan-3-yl) propanoate
  • Platenomycin-B3
  • [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
  • C14059

Related records from the same parent family

07Documented 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.

08Sources