ISOSILYBIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H22O10
Molecular Weight	482.4362
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1O)[C@@H]2OC3=C(O[C@H]2CO)C=C(C=C3)[C@H]4OC5=CC(O)=CC(O)=C5C(=O)[C@@H]4O

InChI

InChIKey=FDQAOULAVFHKBX-WAABAYLZSA-N

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H22O10
Molecular Weight	482.4362
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:11:54 UTC 2023` Edited by `admin` on `Sat Dec 16 08:11:54 UTC 2023`
Record UNII	15EH97604R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSILYBIN B

Common Name

English

ISOSILYBIN B [MI]

Common Name

English

SILYBIN A2

Common Name

English

ISOSILYBIN B (CONSTITUENT OF MILK THISTLE) [DSC]

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 2-((2S,3S)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-1,4-BENZODIOXIN-6-YL)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-, (2R,3R)-

Systematic Name

English

ISOSILIBININ B

Common Name

English

Classification Tree Code System Code

DSLD

1488 (Number of products:2)