5,4'-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H38O18
Molecular Weight	698.6226
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,4'-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Structure Search

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(OCCO)=CC(O)=C4)C5=CC(O)=C(OCCO)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=RJQMDAUUUZUTNQ-MVXJRKCZSA-N

InChI=1S/C31H38O18/c1-12-21(36)24(39)26(41)30(46-12)45-11-19-22(37)25(40)27(42)31(48-19)49-29-23(38)20-17(44-7-5-33)9-14(34)10-18(20)47-28(29)13-2-3-16(15(35)8-13)43-6-4-32/h2-3,8-10,12,19,21-22,24-27,30-37,39-42H,4-7,11H2,1H3/t12-,19+,21-,22+,24+,25-,26+,27+,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H38O18
Molecular Weight	698.6226
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:38:36 GMT 2025` Edited by `admin` on `Mon Mar 31 18:38:36 GMT 2025`
Record UNII	1FFG2E677B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,4'-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Common Name

English

O-(.BETA.-HYDROXYETHYL)RUTOSIDE, (5,4')-DI-

Preferred Name

English

O-5,4'-DI(.BETA.-HYDROXYETHYL)RUTOSIDE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-HYDROXY-5-(2-HYDROXYETHOXY)-2-(3-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

72710743

Created by admin on Mon Mar 31 18:38:36 GMT 2025 , Edited by admin on Mon Mar 31 18:38:36 GMT 2025

PRIMARY

FDA UNII

1FFG2E677B

Created by admin on Mon Mar 31 18:38:36 GMT 2025 , Edited by admin on Mon Mar 31 18:38:36 GMT 2025

PRIMARY

CAS

862127-07-9

Created by admin on Mon Mar 31 18:38:36 GMT 2025 , Edited by admin on Mon Mar 31 18:38:36 GMT 2025

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