GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-17 AND QS-18 SAPONINS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C87H143NO40
Molecular Weight	1843.049
Optical Activity	UNSPECIFIED
Defined Stereocenters	46 / 46
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-17 AND QS-18 SAPONINS

Structure Search

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]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]8O)[C@]2(C)C=O)[C@H](O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@@H](O[C@@H]%13OC[C@@H](O)[C@H](O)[C@H]%13O)[C@@H]1O

InChI

InChIKey=YKQXJMGICVEDTL-GSDOKJGNSA-N

InChI=1S/C87H143NO40/c1-10-11-12-13-14-15-16-17-18-19-28-88-71(110)67-60(106)65(123-72-57(103)51(97)42(93)33-113-72)69(127-75-59(105)55(101)53(99)45(32-90)119-75)78(125-67)120-49-23-24-82(6)46(83(49,7)35-91)22-25-84(8)47(82)21-20-40-41-29-81(4,5)26-27-87(41,48(95)30-85(40,84)9)80(111)128-77-68(56(102)50(96)38(2)116-77)126-76-62(108)66(124-74-58(104)54(100)52(98)44(31-89)118-74)63(39(3)117-76)121-73-61(107)64(43(94)34-114-73)122-79-70(109)86(112,36-92)37-115-79/h20,35,38-39,41-70,72-79,89-90,92-109,112H,10-19,21-34,36-37H2,1-9H3,(H,88,110)/t38-,39-,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+,68-,69-,70+,72+,73+,74+,75+,76+,77+,78-,79+,82+,83+,84-,85-,86-,87-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C87H143NO40
Molecular Weight	1843.049
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	46 / 46
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:05:05 GMT 2025` Edited by `admin` on `Wed Apr 02 07:05:05 GMT 2025`
Record UNII	Z1CGJ70RS1
Record Status	`Validated (UNII)`
Record Version

Download

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-D-APIO-.BETA.-D-FURANOSYL-(1->3)-O-.BETA.-D-XYLOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRAN

Preferred Name

English

GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-17 AND QS-18 SAPONINS

Common Name

English

Code System Code Type Description

PUBCHEM

154824278

Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025

PRIMARY

CAS

622829-90-7

Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025

PRIMARY

FDA UNII

Z1CGJ70RS1

Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025

PRIMARY