Gymnocolin
Basic information
- CAS
37299-07-3- Standard SMILES
CC(=O)OCC12CC(c3ccoc3)OC3CCC4C(=O)OC(CC1C)C4(C)C32- InChIKey
VSQQXFIEQXSFMB-UHFFFAOYSA-N- Molecular formula
- C22H28O6
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.18858861
Names & identifiers
- Preferred name
- Gymnocolin
- IUPAC
- [6-(furan-3-yl)-9,14-dimethyl-13-oxo-5,12-dioxatetracyclo[6.5.2.04,15.011,14]pentadecan-8-yl]methyl acetate
Names & synonyms
GYMNOCOLIN37299-07-3NSC377113DTXSID30958429NSC-377113[6-(Furan-3-yl)-8,9b-dimethyl-2-oxododecahydro-7aH-furo[4',3',2':4,5]naphtho[1,8-bc]pyran-7a-yl]methyl acetate
Database identifiers
- CAS
37299-07-3- PubChem CID
- 435832
- DTXSID
DTXSID30958429
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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