MIRIFICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28O13
Molecular Weight	548.4927
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C3=C4OC=C(C(=O)C4=CC=C3O)C5=CC=C(O)C=C5)[C@@H]1O

InChI

InChIKey=ZBXWGKPUSLRPHX-QOIVFALESA-N

InChI=1S/C26H28O13/c27-9-26(35)10-38-25(24(26)34)37-8-16-19(31)20(32)21(33)23(39-16)17-15(29)6-5-13-18(30)14(7-36-22(13)17)11-1-3-12(28)4-2-11/h1-7,16,19-21,23-25,27-29,31-35H,8-10H2/t16-,19-,20+,21-,23+,24+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28O13
Molecular Weight	548.4927
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:40:58 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:58 GMT 2025`
Record UNII	9FQ75MJ4HG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MIRIFICIN

Common Name

English

4H-1-Benzopyran-4-one, 8-(6-O-D-apio-?-D-furanosyl-?-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-

Preferred Name

English

8-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-7-HYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

PUERARIN APIOSIDE

Systematic Name

English

Code System Code Type Description

CAS

103654-50-8