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

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 5,7-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

SMILES

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

InChI

InChIKey=UPGVMQZXOVYKSE-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(43-6-4-32)10-18(20)47-28(29)13-2-3-15(34)16(35)8-13/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 Sat Dec 16 07:54:44 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:44 GMT 2023
Record UNII
B7Y7WXL8HQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,7-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-BIS(2-HYDROXYETHOXY)-
Systematic Name English
(5,7)-DI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
O-(.BETA.-HYDROXYETHYL)RUTOSIDE, (5,7)-DI-
Common Name English
O-5,7-DI(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
Code System Code Type Description
FDA UNII
B7Y7WXL8HQ
Created by admin on Sat Dec 16 07:54:44 GMT 2023 , Edited by admin on Sat Dec 16 07:54:44 GMT 2023
PRIMARY
PUBCHEM
13453677
Created by admin on Sat Dec 16 07:54:44 GMT 2023 , Edited by admin on Sat Dec 16 07:54:44 GMT 2023
PRIMARY
CAS
862127-03-5
Created by admin on Sat Dec 16 07:54:44 GMT 2023 , Edited by admin on Sat Dec 16 07:54:44 GMT 2023
PRIMARY