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

[H][C@@]%13(O[C@H]1[C@H](O)CO[C@@]([H])(O[C@H]2[C@@H](C)O[C@@]([H])(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C6=CC[C@]7([H])[C@@]8(C)CC[C@H](O[C@]9([H])O[C@@H]([C@@H](O)[C@H](O[C@]%10([H])OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O[C@]%11([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(=O)NCCCCCCCCCCCC)[C@@](C)(C=O)[C@]8([H])CC[C@@]7(C)[C@]6(C)C[C@H]5O)[C@H](O)[C@@H]2O[C@]%12([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)[C@@H]1O)OC[C@](O)(CO)[C@H]%13O

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 `Sat Dec 16 16:04:40 GMT 2023` Edited by `admin` on `Sat Dec 16 16:04:40 GMT 2023`
Record UNII	Z1CGJ70RS1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

154824278

Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023

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CAS

622829-90-7

Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023

PRIMARY

FDA UNII

Z1CGJ70RS1

Created by admin on Sat Dec 16 16:04:40 GMT 2023 , Edited by admin on Sat Dec 16 16:04:40 GMT 2023

PRIMARY