QS-21-XYLOSE 4-ACYL ISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C92H148O46
Molecular Weight	1990.1319
Optical Activity	UNSPECIFIED
Defined Stereocenters	52 / 52
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](C[C@H](O)CC(=O)O[C@@H](C[C@H](O)CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(O)=O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@H](O[C@@H]%10O[C@@H](C)[C@H](O[C@@H]%11OC[C@@H](O)[C@H](O[C@@H]%12OC[C@@H](O)[C@H](O)[C@H]%12O)[C@H]%11O)[C@@H](O)[C@H]%10O)[C@H]1O)[C@@H](C)CC)O[C@@H]%13O[C@@H](CO)[C@H](O)[C@H]%13O

InChI

InChIKey=ZGCXBEZHDLUWPW-VWCXZNQNSA-N

InChI=1S/C92H148O46/c1-13-35(3)46(126-54(102)25-40(97)24-47(36(4)14-2)127-82-64(112)59(107)49(30-94)128-82)23-39(96)26-55(103)131-71-38(6)125-84(75(67(71)115)136-81-66(114)61(109)70(37(5)124-81)132-80-69(117)72(45(100)33-123-80)133-78-62(110)56(104)43(98)31-121-78)138-86(120)92-22-21-87(7,8)27-42(92)41-15-16-51-88(9)19-18-53(89(10,34-95)50(88)17-20-90(51,11)91(41,12)28-52(92)101)130-85-76(137-83-65(113)60(108)58(106)48(29-93)129-83)73(68(116)74(135-85)77(118)119)134-79-63(111)57(105)44(99)32-122-79/h15,34-40,42-53,56-76,78-85,93-94,96-101,104-117H,13-14,16-33H2,1-12H3,(H,118,119)/t35-,36-,37-,38+,39-,40-,42-,43+,44+,45+,46-,47-,48+,49-,50+,51+,52+,53-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,78-,79-,80-,81-,82+,83-,84-,85+,88-,89-,90+,91+,92+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C92H148O46
Molecular Weight	1990.1319
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	52 / 52
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 03:36:52 GMT 2025` Edited by `admin` on `Wed Apr 02 03:36:52 GMT 2025`
Record UNII	09E8KGJ09N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QS-21-XYLOSE 4-ACYL ISOMER

Common Name

English

QS-21 A-XYL

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.ALPHA.)-16-HYDROXY-23,28-DIOXO-28-((O-.BETA.-D-XYLOPYRANOSYL-(1->3)-O-.BETA.-D-XYLOPYRANOSYL-(1->4)-O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-4-O-((3S,5S,6S)-5-(((3S,5S,6S)-5-(.ALPHA.-L-ARABINOFURA

Systematic Name

English

QS-21-V2

Common Name

English

QS-21AV2

Common Name

English

Code System Code Type Description

CAS

250643-56-2

Created by admin on Wed Apr 02 03:36:52 GMT 2025 , Edited by admin on Wed Apr 02 03:36:52 GMT 2025

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PUBCHEM

25058835

Created by admin on Wed Apr 02 03:36:52 GMT 2025 , Edited by admin on Wed Apr 02 03:36:52 GMT 2025

PRIMARY

FDA UNII

09E8KGJ09N

Created by admin on Wed Apr 02 03:36:52 GMT 2025 , Edited by admin on Wed Apr 02 03:36:52 GMT 2025

PRIMARY

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