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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H42O19
Molecular Weight 742.6752
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3',5,7-TRI-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(OCCO)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=RKQVQFBJUJVQEV-VVSTWUKXSA-N
InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-19(47-9-6-36)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-17(37)18(10-15)46-8-5-35/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H42O19
Molecular Weight 742.6752
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 11:00:37 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:37 UTC 2023
Record UNII
K207DW503A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3',5,7-TRI-O-(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
O-3',5,7-TRI(.BETA.-HYDROXYETHYL)RUTOSIDE
Common Name English
O-(.BETA.-HYDROXYETHYL)RUTOSIDE, (3',5,7)-TRI-
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,7-BIS(2-HYDROXYETHOXY)-2-(4-HYDROXY-3-(2-HYDROXYETHOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
81793-49-9
Created by admin on Sat Dec 16 11:00:37 UTC 2023 , Edited by admin on Sat Dec 16 11:00:37 UTC 2023
PRIMARY
PUBCHEM
13453679
Created by admin on Sat Dec 16 11:00:37 UTC 2023 , Edited by admin on Sat Dec 16 11:00:37 UTC 2023
PRIMARY
FDA UNII
K207DW503A
Created by admin on Sat Dec 16 11:00:37 UTC 2023 , Edited by admin on Sat Dec 16 11:00:37 UTC 2023
PRIMARY