ERYTHRO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXY-PHENOXY)-1,3-PROPANEDIOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H26O7
Molecular Weight	378.4162
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERYTHRO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXY-PHENOXY)-1,3-PROPANEDIOL

SMILES

COC1=CC(=CC=C1O)[C@H](O)[C@@H](CO)OC2=C(OC)C=C(CCCO)C=C2

InChI

InChIKey=DBIKJXXBCAHHMC-UXHICEINSA-N

InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O7
Molecular Weight	378.4162
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	XCZ76LMD8D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(ERYTHRO)-4,7,9,9'-TETRAHYDROXY-3,3'-DIMETHOXY-8-O-4'-NEOLIGNAN

Preferred Name

English

ERYTHRO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXY-PHENOXY)-1,3-PROPANEDIOL

Common Name

English

ERYTHRO-GUAIACYLGLYCEROL-.BETA.-O-4'-DIHYDROCONIFERYL ALCOHOL

Common Name

English

REL-(1R,2S)-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-1,3-PROPANEDIOL

Systematic Name

English

1,3-PROPANEDIOL, 1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-, (1R,2S)-REL-

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

XCZ76LMD8D

PRIMARY

CAS

135820-77-8

PRIMARY

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Comments:

1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL = >40, In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 3.7+/-0.50.

Amount:

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