GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-21 SAPONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C81H133NO35
Molecular Weight	1680.9084
Optical Activity	UNSPECIFIED
Defined Stereocenters	41 / 41
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-21 SAPONIN

Structure Search

SMILES

[H][C@@]%12(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@@H]1O)OC[C@](O)(CO)[C@H]%12O

InChI

InChIKey=NKVLDFAVEWLOCX-BFPVYOQWSA-N

InChI=1S/C81H133NO35/c1-10-11-12-13-14-15-16-17-18-19-28-82-66(101)62-57(98)61(113-67-54(95)49(90)41(86)32-104-67)64(116-70-55(96)51(92)50(91)43(31-83)109-70)72(114-62)110-47-23-24-76(6)44(77(47,7)34-84)22-25-78(8)45(76)21-20-39-40-29-75(4,5)26-27-81(40,46(88)30-79(39,78)9)74(102)117-71-63(52(93)48(89)37(2)107-71)115-69-56(97)53(94)59(38(3)108-69)111-68-58(99)60(42(87)33-105-68)112-73-65(100)80(103,35-85)36-106-73/h20,34,37-38,40-65,67-73,83,85-100,103H,10-19,21-33,35-36H2,1-9H3,(H,82,101)/t37-,38-,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+,67+,68+,69+,70+,71+,72-,73+,76+,77+,78-,79-,80-,81-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C81H133NO35
Molecular Weight	1680.9084
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	41 / 41
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:05:18 GMT 2023` Edited by `admin` on `Sat Dec 16 16:05:18 GMT 2023`
Record UNII	0UN288HF1W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GPI-0100 COMPONENT DODECYLAMIDE DERIVATIVE OF DEACYLATED QS-21 SAPONIN

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-6-DEOXY-.ALPHA.-L-MA

Systematic Name

English

Code System Code Type Description

CAS

473907-66-3

Created by admin on Sat Dec 16 16:05:18 GMT 2023 , Edited by admin on Sat Dec 16 16:05:18 GMT 2023

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PUBCHEM

154824282

Created by admin on Sat Dec 16 16:05:18 GMT 2023 , Edited by admin on Sat Dec 16 16:05:18 GMT 2023

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FDA UNII

0UN288HF1W

Created by admin on Sat Dec 16 16:05:18 GMT 2023 , Edited by admin on Sat Dec 16 16:05:18 GMT 2023

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