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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H66O13
Molecular Weight 766.9549
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID XIII

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C4[C@]5([H])CC(C)(C)[C@@H](O)[C@H](O)[C@]5(COC(=O)[C@@H](C)CC)[C@@H](O)C[C@@]34C)[C@]1(C)CO)O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O

InChI

InChIKey=DAEICXOPEYOMGC-DDRSIQBQSA-N
InChI=1S/C41H66O13/c1-9-20(2)34(51)52-19-41-22(16-36(3,4)31(47)32(41)48)21-10-11-24-37(5)14-13-26(53-35-29(46)27(44)28(45)30(54-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)43/h10,20,22-32,35,42-48H,9,11-19H2,1-8H3,(H,49,50)/t20-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula C41H66O13
Molecular Weight 766.9549
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:00 GMT 2023
Edited
by admin
on Sat Dec 16 10:25:00 GMT 2023
Record UNII
7LJ084DV2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GYMNEMIC ACID XIII
Common Name English
GYMNEMIC ACID XIII (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,21,22,23-TETRAHYDROXY-28-((2S)-2-METHYL-1-OXOBUTOXY)OLEAN-12-EN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
7LJ084DV2X
Created by admin on Sat Dec 16 10:25:01 GMT 2023 , Edited by admin on Sat Dec 16 10:25:01 GMT 2023
PRIMARY
CAS
155023-61-3
Created by admin on Sat Dec 16 10:25:01 GMT 2023 , Edited by admin on Sat Dec 16 10:25:01 GMT 2023
PRIMARY
PUBCHEM
14258863
Created by admin on Sat Dec 16 10:25:01 GMT 2023 , Edited by admin on Sat Dec 16 10:25:01 GMT 2023
PRIMARY
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