Identidad

Rapamycin Impurity 18

No indicado · C51H77NO12

01Identidad

Lazychem IDLC-26776
CAS RNNo indicado
PubChem CID10440757
Molecular formulaC51H77NO12
Molecular weight896.17 g/mol
IUPAC name(4R,7S,9a'S)-7-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl)-4-methyltetrahydro-1'H-spiro[oxepane-2,3'-pyrido[2,1-c][1,4]oxazine]-1',3,4'(6'H)-trione
InChIKeyJHAUJRJLNJIMGW-FMGIDYITSA-N

02Estructura y estereoquímica

2D structurePubChem CID 10440757
Two-dimensional chemical structure of Rapamycin Impurity 18
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 13 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres13
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1CC[C@H](OC2(C1=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)OC)/C)OC
InChINo indicado

03Stereochemistry

The published structure contains 13 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres13Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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.

04Estado en India

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

05Nombres y relaciones

API y fármaco de origen

Rapamycin

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    06Fuentes