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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H42O18
Molecular Weight 702.6544
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OLEUROPEINYL MONOGLUCOSIDE

SMILES

[H][C@@]2(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C([C@@H](CC(=O)OCCC3=CC(O)=C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)\C2=C/C)C(=O)OC

InChI

InChIKey=TZKSBCFVWWWMJO-GVJOCCLKSA-N
InChI=1S/C31H42O18/c1-3-14-15(16(28(42)43-2)12-45-29(14)49-31-27(41)25(39)23(37)20(11-33)48-31)9-21(35)44-7-6-13-4-5-18(17(34)8-13)46-30-26(40)24(38)22(36)19(10-32)47-30/h3-5,8,12,15,19-20,22-27,29-34,36-41H,6-7,9-11H2,1-2H3/b14-3+/t15-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H42O18
Molecular Weight 702.6544
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:52:55 GMT 2023
Edited
by admin
on Sat Dec 16 01:52:55 GMT 2023
Record UNII
ZV196Z05LZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLEUROPEINYL MONOGLUCOSIDE
Common Name English
INOVEOL OLEU (MONO GLU)
Common Name English
2H-PYRAN-4-ACETIC ACID, 3-ETHYLIDENE-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, 2-(4-(.ALPHA.-D-GLUCOPYRANOSYLOXY)-3-HYDROXYPHENYL)ETHYL ESTER, (2S,3E,4S)-
Common Name English
Code System Code Type Description
FDA UNII
ZV196Z05LZ
Created by admin on Sat Dec 16 01:52:55 GMT 2023 , Edited by admin on Sat Dec 16 01:52:55 GMT 2023
PRIMARY
PUBCHEM
71587954
Created by admin on Sat Dec 16 01:52:55 GMT 2023 , Edited by admin on Sat Dec 16 01:52:55 GMT 2023
PRIMARY
CAS
1235443-54-5
Created by admin on Sat Dec 16 01:52:55 GMT 2023 , Edited by admin on Sat Dec 16 01:52:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID00154037
Created by admin on Sat Dec 16 01:52:55 GMT 2023 , Edited by admin on Sat Dec 16 01:52:55 GMT 2023
PRIMARY