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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H72O21
Molecular Weight 985.0727
Optical Activity UNSPECIFIED
Defined Stereocenters 24 / 24
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LICORICESAPONIN A3

SMILES

[H][C@@]8(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(CC[C@]6(C)CC[C@@]45C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C2(C)C)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O

InChI

InChIKey=HJFOOTRGDAPZMV-SMVKYPPISA-N
InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H72O21
Molecular Weight 985.0727
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 24 / 24
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:11 GMT 2023
Record UNII
88G00OJY89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LICORICESAPONIN A3
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-29-(.BETA.-D-GLUCOPYRANOSYLOXY)-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
LICORICE-SAPONIN A3
Common Name English
Code System Code Type Description
PUBCHEM
14187172
Created by admin on Sat Dec 16 10:01:11 GMT 2023 , Edited by admin on Sat Dec 16 10:01:11 GMT 2023
PRIMARY
CAS
118325-22-7
Created by admin on Sat Dec 16 10:01:11 GMT 2023 , Edited by admin on Sat Dec 16 10:01:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID001316022
Created by admin on Sat Dec 16 10:01:11 GMT 2023 , Edited by admin on Sat Dec 16 10:01:11 GMT 2023
PRIMARY
FDA UNII
88G00OJY89
Created by admin on Sat Dec 16 10:01:11 GMT 2023 , Edited by admin on Sat Dec 16 10:01:11 GMT 2023
PRIMARY
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