U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O17
Molecular Weight 654.5701
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

SMILES

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

InChI

InChIKey=MTFMRKZZAXMGBF-BDAFLREQSA-N
InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-14(33)7-12(31)8-16(18)44-26(27)11-2-3-15(13(32)6-11)41-5-4-30/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H34O17
Molecular Weight 654.5701
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 22:59:51 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:51 GMT 2025
Record UNII
5916I19RLP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-MONO-O-.BETA.-HYDROXYETHYLRUTOSIDE
Preferred Name English
4'-O-(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(3-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)-
Systematic Name English
HYDROXYETHYLRUTIN, O-
Common Name English
4'-O-(HYDROXYETHYL)RUTIN
Common Name English
RUTIN, 4'-O-(2-HYDROXYETHYL)-
Common Name English
O-(.BETA.-HYDROXYETHYL)RUTOSIDE, 4'-
Common Name English
Code System Code Type Description
FDA UNII
5916I19RLP
Created by admin on Mon Mar 31 22:59:51 GMT 2025 , Edited by admin on Mon Mar 31 22:59:51 GMT 2025
PRIMARY
CAS
13190-92-6
Created by admin on Mon Mar 31 22:59:51 GMT 2025 , Edited by admin on Mon Mar 31 22:59:51 GMT 2025
PRIMARY
PUBCHEM
72710696
Created by admin on Mon Mar 31 22:59:51 GMT 2025 , Edited by admin on Mon Mar 31 22:59:51 GMT 2025
PRIMARY