Calycanthoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O10
Molecular Weight	384.3347
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(OC)=C3OC(=O)C=CC3=C1

InChI

InChIKey=IKUQEFGEUOOPGY-QSDFBURQSA-N

InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3/t9-,11-,12+,13-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O10
Molecular Weight	384.3347
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 `Sat Dec 16 18:24:25 GMT 2023` Edited by `admin` on `Sat Dec 16 18:24:25 GMT 2023`
Record UNII	X9UV2YMM9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calycanthoside

Common Name

English

7-(β-D-Glucopyranosyloxy)-6,8-dimethoxy-2H-1-benzopyran-2-one

Systematic Name

English

2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6,8-dimethoxy-

Systematic Name

English

Isofraxidin β-D-glucoside

Common Name

English

6,8-Dimethoxy-7-(β-D-glucopyranosyloxy)coumarin

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001031715