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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H74O18
Molecular Weight 927.0797
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID VI

SMILES

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

InChI

InChIKey=UGYGETAMGVLMQD-XDDVJGMASA-N
InChI=1S/C47H74O18/c1-9-21(2)39(60)65-37-36(57)47(20-50)23(16-42(37,3)4)22-10-11-26-43(5)14-13-28(44(6,19-49)25(43)12-15-45(26,7)46(22,8)17-27(47)51)62-41-33(56)34(32(55)35(64-41)38(58)59)63-40-31(54)30(53)29(52)24(18-48)61-40/h9-10,23-37,40-41,48-57H,11-20H2,1-8H3,(H,58,59)/b21-9+/t23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33+,34-,35-,36-,37-,40-,41+,43-,44-,45+,46+,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula C47H74O18
Molecular Weight 927.0797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 22 / 22
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:12:19 GMT 2023
Record UNII
FBT5C5U9T1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GYMNEMIC ACID VI
Common Name English
GYMNEMIC ACID VI, (+)-
Common Name English
(+)-GYMNEMIC ACID VI
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23,28-TETRAHYDROXY-21-(((2E)-2-METHYL-1-OXO-2-BUTENYL)OXY)OLEAN-12-EN-3-YL 3-O-.BETA.-D-GLUCOPYRANOSYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
91617894
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY
FDA UNII
FBT5C5U9T1
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY
CAS
121903-98-8
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY