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

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

Structure Search

SMILES

[H][C@@]%12(O[C@H]1[C@@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C5=CC[C@]6([H])[C@@]7(C)CC[C@H](O[C@]8([H])O[C@@H]([C@@H](O)[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@]%10([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(=O)NCCCCCCCCCCCC)[C@@](C)(C=O)[C@]7([H])CC[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@@H]1O[C@]%11([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)OC[C@@H](O)[C@H](O)[C@H]%12O

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

Molecular Formula	C82H135NO36
Molecular Weight	1710.9344
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	43 / 43
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:09:53 GMT 2023` Edited by `admin` on `Sat Dec 16 16:09:53 GMT 2023`
Record UNII	M8IJ719O33
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED 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-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-XYLOPYRANOSYL-(1->4))-O-6-DEOXY-.ALPHA.-L-MA

Systematic Name

English

Code System Code Type Description

CAS

622829-91-8

Created by admin on Sat Dec 16 16:09:53 GMT 2023 , Edited by admin on Sat Dec 16 16:09:53 GMT 2023

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PUBCHEM

154824288

Created by admin on Sat Dec 16 16:09:53 GMT 2023 , Edited by admin on Sat Dec 16 16:09:53 GMT 2023

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FDA UNII

M8IJ719O33

Created by admin on Sat Dec 16 16:09:53 GMT 2023 , Edited by admin on Sat Dec 16 16:09:53 GMT 2023

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