Dihydrogriesenin
Basic information
- CAS
20087-05-2- Standard SMILES
C=C1C(=O)O[C@@H]2C[C@]34CO[C@](C)(CCC3=CC[C@H]12)O4- InChIKey
QOWDVJAIJZLWBJ-UXOAXIEHSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Overview
Dihydrogriesenin is an oxacycle.
Names & identifiers
- Preferred name
- Dihydrogriesenin
- IUPAC
- (1R,3R,7R,13S)-13-methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-5-one
Names & synonyms
Dihydrogriesenin(1R,3R,7R,13S)-13-Methyl-6-methylidene-4,14,16-trioxatetracyclo[11.2.1.01,10.03,7]hexadec-9-en-5-oneCHEBI:4566DTXSID60942114C09396Q27106410(3aR,8S,10aR,11aR)-8-Methyl-3-methylidene-3,3a,4,6,7,8,11,11a-octahydro-2H,10H-8,10a-epoxyfuro[3',2':5,6]cyclohepta[1,2-c]oxepin-2-one8-Methyl-3-methylidene-3,3a,4,6,7,8,11,11a-octahydro-2H,10H-8,10a-epoxyfuro[3',2':5,6]cyclohepta[1,2-c]oxepin-2-one
Database identifiers
- CAS
20087-05-2- PubChem CID
- 442199
- DTXSID
DTXSID60942114- ChEBI
CHEBI:4566
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…