Identiteet

Crocin Impurity 1

Pole loetletud · C44H64O24

01Identiteet

Lazychem ID	LC-36429
CAS RN	Pole loetletud
PubChem CID	101662426
Molecular formula	C44H64O24
Molecular weight	977.0 g/mol
IUPAC name	bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
InChIKey	SEBIKDIMAPSUBY-FEZBIEGXSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Crocin Impurity 1 — 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 20 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	20
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI	Pole loetletud

03Stereochemistry

The published structure contains 20 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres20Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,048,576Before 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.