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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H68Cl2O17
Molecular Weight 987.949
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OP-1118

SMILES

[H][C@@]4(O[C@@H]1[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@H]2O[C@@H](C)[C@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@@H](O)[C@H]2OC)\C(=O)O[C@@H](C\C=C(C)\C=C1/C)[C@@H](C)O)OC(C)(C)[C@@H](O)[C@H](O)[C@@H]4O

InChI

InChIKey=MWZWKUKATWMWGS-FXYIDGSOSA-N
InChI=1S/C48H68Cl2O17/c1-11-27-20-23(4)30(52)16-14-13-15-28(21-62-47-42(61-10)39(57)41(26(7)63-47)65-45(60)32-29(12-2)33(49)36(54)34(50)35(32)53)44(59)64-31(25(6)51)18-17-22(3)19-24(5)40(27)66-46-38(56)37(55)43(58)48(8,9)67-46/h13-15,17,19-20,25-27,30-31,37-43,46-47,51-58H,11-12,16,18,21H2,1-10H3/b14-13+,22-17+,23-20+,24-19+,28-15+/t25-,26+,27+,30+,31+,37-,38+,39-,40+,41+,42-,43+,46-,47+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OP-1118
Code English
(3E,5E,8S,9E,11S,12R,13E,15E,18S)-3-(((6-DEOXY-4-O-(3,5-DICHLORO-2-ETHYL-4,6-DIHYDROXYBENZOYL)-2-O-METHYL-.BETA.-L-MANNOPYRANOSYL)OXY)METHYL)-12-((6-DEOXY-5-C-METHYL-.BETA.-D-LYXO-HEXOPYRANOSYL)OXY)-11-ETHYL-8-HYDROXY-18-((1R)-1-HYDROXYETHYL)-9,13,15-TRI
Systematic Name English
OPT-1118
Code English
Code System Code Type Description
CAS
1030825-28-5
Created by admin on Sat Dec 16 13:31:00 GMT 2023 , Edited by admin on Sat Dec 16 13:31:00 GMT 2023
PRIMARY
FDA UNII
J4D0XQ65KI
Created by admin on Sat Dec 16 13:31:00 GMT 2023 , Edited by admin on Sat Dec 16 13:31:00 GMT 2023
PRIMARY
PUBCHEM
135390998
Created by admin on Sat Dec 16 13:31:00 GMT 2023 , Edited by admin on Sat Dec 16 13:31:00 GMT 2023
PRIMARY