Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-2',3',4,4',5,5',5'a,7',8',8'a-decahydro-7'-methyl-, diacetate, (5'aR-(5'aalpha,6'beta(2S*,5S*),7'beta,8'beta,8'aalpha))-
Basic information
- CAS
136176-62-0- Standard SMILES
COC12OCC3=C1C(CCC3)C1(C[C@@H](c3ccoc3)O[C@H]1OC(C)=O)[C@H](C)[C@@H]2OC(C)=O- InChIKey
AWHHVEZYVAPPDK-TZEOEQJESA-N- Molecular formula
- C24H30O8
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19406791
Names & identifiers
- Preferred name
- Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-2',3',4,4',5,5',5'a,7',8',8'a-decahydro-7'-methyl-, diacetate, (5'aR-(5'aalpha,6'beta(2S*,5S*),7'beta,8'beta,8'aalpha))-
- IUPAC
- [(2'S,5'S,10S,11S)-2'-acetyloxy-5'-(furan-3-yl)-1-methoxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-11-yl] acetate
Names & synonyms
136176-62-0Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-2',3',4,4',5,5',5'a,7',8',8'a-decahydro-7'-methyl-, diacetate, (5'aR-(5'aalpha,6'beta(2S*,5S*),7'beta,8'beta,8'aalpha))-DTXSID40929281(2'S,5'S,7S,8S)-5'-(Furan-3-yl)-8a-methoxy-7-methyl-2,3,4,5,5a,7,8,8a-octahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2',8-diyl diacetate5'-(Furan-3-yl)-8a-methoxy-7-methyl-2,3,4,5,5a,7,8,8a-octahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2',8-diyl diacetate
Database identifiers
- CAS
136176-62-0- PubChem CID
- 178298
- DTXSID
DTXSID40929281
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 823
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