Basic information
- CAS
19902-91-1- Standard SMILES
COC1=CC(=O)OC(CCc2ccc3c(c2)OCO3)C1- InChIKey
RSIWXFIBHXYNFM-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Overview
(+/-)-Dihydromethysticin is an aromatic ether and a member of 2-pyranones.
Names & identifiers
- Preferred name
- (+-)-Dihydromethysticin
- IUPAC
- 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
- English name
- Dihydromethysticin
- Molecular formula
- C15H16O5
- Molecular weight
- 276.28
Names & synonyms
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-2,3-dihydropyran-6-one(+-)-DihydromethysticinRefChem:1049032Dihydromethysticin, (+-)-(+/-)-Dihydromethysticin6581-46-03155-57-5DL-DihydromethysticinDihydromethysticin, (RS)-Dihydromethysticin, (+/-)-(+/-)-7,8-Dihydromethysticin
Show more names
NSC23878Dihydromethysticinrac-Dihydromethysticin6-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
NPLC-0185NSC-23878MLS002638967G9X3XK922J2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-2H-Pyran-2-one,6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-UNII-G9X3XK922Jy-Methysticin
Database identifiers
- CAS
19902-91-1、3155-57-5、6581-46-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Melting Point117 - 118 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 118 ° · 118°
- FDA UNII
- 66 MQ73GS · FZ66MQ73GS
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Additional notes
DefinitionChEBI: (+/-)-Dihydromethysticin is an aromatic ether and a member of 2-pyranones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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