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Basic information
- CAS
26305-91-9- Standard SMILES
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3CC(=O)OC[C@@]3(C)C[C@H]12- InChIKey
GKYRUDQNQRLJRF-RZJSXJPMSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- Floribundin
- IUPAC
- (1S,3R,7R,9R,10S)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione
- English name
- (3aR,8aα,10aα)-3a,4a,5,8,8a,9,10,10a-Octahydro-4aβ,9α-dimethyl-3-methylenefuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3H,4H)-dione
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
FloribundinRefChem:1085401(1S,3R,7R,9R,10S)-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo(8.4.0.03,7)tetradecane-5,12-dionePsilotropinNSC13671926305-91-9NSC 136719SCHEMBL29359310NSC-136719Furo(2',3':5,6)cyclohepta(1,2-c)pyran-2,7(3H,4H)-dione, octahydro-4a,9-dimethyl-3-methylene-, (3aR,4as,8as,9R,10aR)Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3H,4H)-dione, octahydro-4a,9-dimethyl-3-methylene-, (3aR,4aS,8aS,9R,10aR)-(3aR,8aα,10aα)-3a,4a,5,8,8a,9,10,10a-Octahydro-4aβ,9α-dimethyl-3-methylenefuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3H,4H)-dione
Show more names
(3aR,4aS,8aS,9R,10aR)-3a,4a,5,8,8a,9,10,10a-Octahydro-4a,9-dimethyl-3-methylenefuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3H,4H)-dione
Database identifiers
- CAS
26305-91-9- PubChem CID
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
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Compound notes
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