Tożsamość

Novobiocin

Nie podano · C31H36N2O11

01Tożsamość

Lazychem ID	LC-57662
CAS RN	Nie podano
PubChem CID	54675769
Molecular formula	C31H36N2O11
Molecular weight	612.6 g/mol
IUPAC name	[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
InChIKey	YJQPYGGHQPGBLI-KGSXXDOSSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Novobiocin — 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, has 4 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O
InChI	Nie podano

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.

Novobiocin

CAS not listed

YJQPYGGHQPGBLI-KGSXXDOSSA-N

Current configuration

Two-dimensional chemical structure of (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate [M+H]+

(3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate [M+H]+

CAS not listed

YJQPYGGHQPGBLI-UHFFFAOYSA-N

0 defined, 4 unassigned centres

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.

04Status w Indiach

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

Novobiocin

01Tożsamość

02Struktura i stereochemia

03Stereochemistry

Published same-connectivity configurations

Novobiocin

(3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate [M+H]+

04Status w Indiach

05Nazwy i powiązania

API i lek macierzysty

Nazwy i powiązania

06Źródła

01Tożsamość

02Struktura i stereochemia

03Stereochemistry

Published same-connectivity configurations

Novobiocin

(3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate [M+H]+

04Status w Indiach

05Nazwy i powiązania

API i lek macierzysty

Nazwy i powiązania

Zanieczyszczenia i związki pokrewne

06Źródła