Identiteta

Tenuifoliside Impurity 1

Ni navedeno · C31H38O17

01Identiteta

Lazychem ID	LC-35083
CAS RN	Ni navedeno
PubChem CID	133561683
Molecular formula	C31H38O17
Molecular weight	682.6 g/mol
IUPAC name	[3,4,5-trihydroxy-6-[4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
InChIKey	BBUQNXDJRVCZTI-RUDMXATFSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Tenuifoliside 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 aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

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

SMILES	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O
InChI	Ni navedeno

03Stereochemistry

The published structure contains 0 defined and 9 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres9Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 512Before 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.