Aitheantas

Ascomycin 19-epimer

Gan liostú · C43H69NO12

01Aitheantas

Lazychem IDLC-06832
CAS RNGan liostú
PubChem CID76971980
Molecular formulaC43H69NO12
Molecular weight792.01 g/mol
IUPAC name(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19S,26aS)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1R ,3R ,4R )-4-hydroxy-3-methoxycyclohexyl]-1-methylvinyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H -pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21-(4H ,23H )-tetrone
InChIKeyZDQSOHOQTUFQEM-ROFNMVEVSA-N

02Struchtúr agus steiréicheimic

2D structurePubChem CID 76971980
Two-dimensional chemical structure of Ascomycin 19-epimer
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 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C
InChIGan liostú

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before symmetry reduction

Published same-connectivity configurations

4 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.

04Stádas san India

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

05Ainmneacha agus gaolta

API agus máthairdhruga

Tacrolimus

Eisíontais agus comhdhúile gaolmhara

Ainmneacha agus gaolta

  • 19-Epi-Ascomycin
  • Tacrolimus EP Impurity B
  • (1S,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Eisíontais agus comhdhúile gaolmhara

06Foinsí