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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26O10
Molecular Weight 390.3823
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOGANIN

SMILES

[H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC

InChI

InChIKey=AMBQHHVBBHTQBF-UOUCRYGSSA-N
InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H26O10
Molecular Weight 390.3823
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:16:01 UTC 2023
Edited
by admin
on Fri Dec 15 20:16:01 UTC 2023
Record UNII
H7WJ16Q93C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOGANIN
MI  
Common Name English
METHYL (1S-(1.ALPHA.,4A.ALPHA.,6.ALPHA.,7.ALPHA.,7A.ALPHA.))-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYLCYCLOPENTA(C)PYRAN-4-CARBOXYLATE
Common Name English
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYL-, METHYL ESTER
Common Name English
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYL-, METHYL ESTER, (1S-(1.ALPHA.,4A.ALPHA.,6.ALPHA.,7.ALPHA.,7A.ALPHA.))-
Common Name English
(-)-LOGANIN
Common Name English
LOGANIN, (-)-
Common Name English
7-HYDROXY-6-DESOXYVERBENALIN
Common Name English
NSC-606403
Code English
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYL-, METHYL ESTER, (1S,4AS,6S,7R,7AS)-
Common Name English
LOGANOSIDE
Common Name English
LOGANIN [MI]
Common Name English
(1S)-1.ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A.ALPHA.,5,6,7,7A.ALPHA.-HEXAHYDRO-6.ALPHA.-HYDROXY-7.ALPHA.-METHYLCYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID METHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
H7WJ16Q93C
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
MERCK INDEX
m6887
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
Loganin
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-398-0
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
PUBCHEM
87691
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID60939948
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
NSC
606403
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
CHEBI
15771
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
CAS
18524-94-2
Created by admin on Fri Dec 15 20:16:02 UTC 2023 , Edited by admin on Fri Dec 15 20:16:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT