Identität

Pseudomonic acid D

Nicht angegeben · C26H42O9

01Identität

Lazychem ID	LC-47698
CAS RN	Nicht angegeben
PubChem CID	10028871
Molecular formula	C26H42O9
Molecular weight	498.6 g/mol
IUPAC name	(E)-9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynon-4-enoic acid
InChIKey	RJGJFSVDQPCELW-VCXQKUNESA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Pseudomonic acid D — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCC/C=C/CCC(=O)O)/C)[C@H](C)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 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.