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

Details

Stereochemistry ABSOLUTE
Molecular Formula C82H135NO36
Molecular Weight 1710.9344
Optical Activity UNSPECIFIED
Defined Stereocenters 43 / 43
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-18 SAPONINS

SMILES

CCCCCCCCCCCCNC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](C)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@]2(C)C=O)[C@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@@H](O[C@@H]%12OC[C@@H](O)[C@H](O)[C@H]%12O)[C@@H]1O

InChI

InChIKey=VQFOXYSOUVABEH-FJTLNYLASA-N
InChI=1S/C82H135NO36/c1-10-11-12-13-14-15-16-17-18-19-28-83-68(104)65-60(102)63(114-70-57(99)50(92)41(88)34-107-70)67(118-72-59(101)54(96)52(94)43(32-85)111-72)75(116-65)112-47-23-24-78(6)44(79(47,7)35-86)22-25-80(8)45(78)21-20-38-39-29-77(4,5)26-27-82(39,46(89)30-81(38,80)9)76(105)119-74-66(55(97)48(90)36(2)108-74)117-73-61(103)64(115-71-58(100)53(95)51(93)42(31-84)110-71)62(37(3)109-73)113-69-56(98)49(91)40(87)33-106-69/h20,35-37,39-67,69-75,84-85,87-103H,10-19,21-34H2,1-9H3,(H,83,104)/t36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51-,52+,53+,54+,55+,56-,57-,58-,59-,60+,61-,62+,63+,64+,65+,66-,67-,69+,70+,71+,72+,73+,74+,75-,78+,79+,80-,81-,82-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OLEAN-12-EN-28-OIC ACID, 3-((O-.BETA.-D-GALACTOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-N-DODECYL-.BETA.-D-GLUCOPYRANURONAMIDOSYL)OXY)-16-HYDROXY-23-OXO-, O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-XYLOPYRANOSYL-(1->4))-O-6-DEOXY-.ALPHA.-L-MA
Preferred Name English
GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-18 SAPONINS
Common Name English
Code System Code Type Description
CAS
622829-91-8
Created by admin on Wed Apr 02 07:15:35 GMT 2025 , Edited by admin on Wed Apr 02 07:15:35 GMT 2025
PRIMARY
PUBCHEM
154824288
Created by admin on Wed Apr 02 07:15:35 GMT 2025 , Edited by admin on Wed Apr 02 07:15:35 GMT 2025
PRIMARY
FDA UNII
M8IJ719O33
Created by admin on Wed Apr 02 07:15:35 GMT 2025 , Edited by admin on Wed Apr 02 07:15:35 GMT 2025
PRIMARY