化学标识

C49-Methyl rapamycin

未列出 · C52H81NO13

01化学标识

Lazychem ID	LC-49033
CAS RN	未列出
PubChem CID	5289261
Molecular formula	C52H81NO13
Molecular weight	928.2 g/mol
IUPAC name	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-30-ethoxy-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
InChIKey	GPZGXSFHPLUMHE-JQEUAWNDSA-N

02结构与立体化学

Two-dimensional chemical structure of C49-Methyl rapamycin — 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 15 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	15
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C
InChI	未列出

03Stereochemistry

The published structure contains 15 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres15Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32,768Before 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.