Basic information
- Standard SMILES
C/C=C/[C@@H]1OC2=C(C(=O)O[C@H]2C)[C@H](O)[C@H]1O- InChIKey
DXUWKSUWEMSKDA-MHLXCEJISA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Overview
Mabetaarilactone B is a butenolide.
Names & identifiers
- Preferred name
- Massarilactone B
- IUPAC
- (2S,3R,4S,7S)-3,4-dihydroxy-7-methyl-2-[(E)-prop-1-enyl]-2,3,4,7-tetrahydrofuro[3,4-b]pyran-5-one
Names & synonyms
Massarilactone BDTXSID301349280(2S,3R,4S,7S)-3,4-Dihydroxy-7-methyl-2-[(E)-prop-1-enyl]-2,3,4,7-tetrahydrofuro[3,4-b]pyran-5-one(2S,3R,4S,7S)-3,4-dihydroxy-7-methyl-2-((E)-prop-1-enyl)-2,3,4,7-tetrahydrofuro(3,4-b)pyran-5-oneRefChem:155944DTXCID701778271334022-96-7Mabetaarilactone Borb1991694CHEBI:225429AKOS040735063T125029
Show more names
(2S,3R,4S,7S)-3,4-dihydroxy-7-methyl-2-[(E)-prop-1-enyl]-2,3,4,7-tetrahydrouro[3,4-b]pyran-5-one
Database identifiers
- PubChem CID
- 10105097
- DTXSID
DTXSID301349280- ChEBI
CHEBI:225429- Nikkaji
- J1.466.505F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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