U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20O6
Molecular Weight 308.3264
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOCERIN

SMILES

[H][C@@]12C[C@H](CCC)O[C@]1([H])C3=CC(OC)=C(OC)C(O)=C3C(=O)O2

InChI

InChIKey=VAYQNUBOZLPGDH-OLXJLDBKSA-N
InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20O6
Molecular Weight 308.3264
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:37 UTC 2023
Edited
by admin
on Sat Dec 16 12:52:37 UTC 2023
Record UNII
G7C424U3DJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOCERIN
Common Name English
VERRUCARIN A, 2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)-, (2'E,4'S,7'R)-
Systematic Name English
(2S,3AR,9BR)-2,3,3A,9B-TETRAHYDRO-6-HYDROXY-7,8-DIMETHOXY-2-PROPYL-5H-FURO(3,2-C)(2)BENZOPYRAN-5-ONE
Systematic Name English
5H-FURO(3,2-C)(2)BENZOPYRAN-5-ONE, 2,3,3A,9B-TETRAHYDRO-6-HYDROXY-7,8-DIMETHOXY-2-PROPYL-, (2S,3AR,9BR)-
Systematic Name English
(2'E,4'S,7'R)-2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)VERRUCARIN A
Systematic Name English
MONOCERIN, (+)-
Common Name English
(+)-MONOCERIN
Common Name English
Code System Code Type Description
CAS
30270-60-1
Created by admin on Sat Dec 16 12:52:37 UTC 2023 , Edited by admin on Sat Dec 16 12:52:37 UTC 2023
PRIMARY
WIKIPEDIA
Monocerin
Created by admin on Sat Dec 16 12:52:37 UTC 2023 , Edited by admin on Sat Dec 16 12:52:37 UTC 2023
PRIMARY
PUBCHEM
92267
Created by admin on Sat Dec 16 12:52:37 UTC 2023 , Edited by admin on Sat Dec 16 12:52:37 UTC 2023
PRIMARY
FDA UNII
G7C424U3DJ
Created by admin on Sat Dec 16 12:52:37 UTC 2023 , Edited by admin on Sat Dec 16 12:52:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID70184361
Created by admin on Sat Dec 16 12:52:37 UTC 2023 , Edited by admin on Sat Dec 16 12:52:37 UTC 2023
PRIMARY