Identité

Spiramycin III

CAS 24916-52-7 · C46H78N2O15

01Identité

Lazychem IDLC-28409
CAS RN24916-52-7
PubChem CID53297409
Molecular formulaC46H78N2O15
Molecular weight899.13 g/mol
IUPAC name(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-5-(((2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-(((2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propionate
InChIKeyHSZLKTCKAYXVBX-LYIMTGTFSA-N

02Structure et stéréochimie

2D structurePubChem CID 53297409
Two-dimensional chemical structure of Spiramycin III, CAS 24916-52-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 19 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres19
Ring count4
Secondary amines0
Tertiary amines2
SMILESCCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C)C
InChINon indiqué

03Stereochemistry

The published structure contains 19 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres19Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 524,288Before 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.

04Statut en Inde

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Noms et relations

API et médicament parent

Spiramycin

Impuretés et composés apparentés

Noms et relations

  • spiramycin III
  • 24916-52-7
  • Foromacidin C
  • 0NHE9TRJ93
  • DTXSID9023596
  • RefChem:932049
  • DTXCID403596
  • Spiramycin III (contains up to 13% Spiramycin I)
  • SPIRAMYCIN III [MI]
  • orb1701573
  • CHEMBL6143528
  • SCHEMBL31065710

Impuretés et composés apparentés

06Sources