SCOPOLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O9
Molecular Weight	354.3087
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C3OC(=O)C=CC3=C1

InChI

InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N

InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18O9
Molecular Weight	354.3087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:09:44 UTC 2023` Edited by `admin` on `Fri Dec 15 20:09:44 UTC 2023`
Record UNII	1Y49270PY8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPOLIN

Common Name

English

6-METHOXYCOUMARIN 7-O-.BETA.-D-GLUCOSIDE

Common Name

English

SCOPOLETIN 7-GLUCOSIDE

Common Name

English

SCOPOLETIN 7-O-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

NSC-404560

Code

English

SCOPOLOSIDE

Common Name

English

SCOPOLETIN 7-O-GLUCOSIDE

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-METHOXY-

Systematic Name

English

7-O-.BETA.-GLUCOPYRANOSYLSCOPOLETIN

Common Name

English

7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-METHOXYCOUMARIN

Common Name

English

6-METHOXY-7-(.BETA.-D-GLUCOPYRANOSYLOXY)COUMARIN

Common Name

English

SCOPOLIN [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

439514