Eremofortin D
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Basic information
- CAS
60048-74-0- Standard SMILES
CC(=O)OC1C2OC2C2CC3(O)OCC4(C)OC43C[C@]2(C)C1C- InChIKey
OINAUIRNJMJNQC-WGGSCDPLSA-N- Molecular formula
- C17H24O6
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15728848
Names & identifiers
- Preferred name
- Eremofortin D
- IUPAC
- [(1R)-8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.03,5.03,8.011,13]pentadecan-14-yl] acetate
- English name
- (1aR,4aβ,4bβ,5aβ,8aR)-6α-Acetoxydecahydro-1aβ,7α,7aα-trimethyl-3aH-oxireno[c]oxireno[7,8]naphtho[2,3-b]furan-3aβ-ol
- Molecular formula
- C17H24O6
- Molecular weight
- 324.37
Names & synonyms
Eremofortin D60048-74-03aH-Oxireno(c)oxireno(7,8)naphtho(2,3-b)furan-3a,6-diol, decahydro-1a,7,7a-trimethyl-, 6-acetateDTXSID10975477(7aR)-3a-Hydroxy-1a,7,7a-trimethyldecahydro-3aH-oxireno[c]oxireno[7,8]naphtho[2,3-b]furan-6-yl acetate3a-Hydroxy-1a,7,7a-trimethyldecahydro-3aH-oxireno[c]oxireno[7,8]naphtho[2,3-b]furan-6-yl acetateReaxys ID: 1395473(1aR,4aβ,4bβ,5aβ,8aR)-6α-Acetoxydecahydro-1aβ,7α,7aα-trimethyl-3aH-oxireno[c]oxireno[7,8]naphtho[2,3-b]furan-3aβ-ol3aH-Oxireno[c]oxireno[7,8]naphtho[2,3-b]furan-3a,6-diol, decahydro-1a,7,7a-trimethyl-, 6-acetate, (1aR,3aR,4aS,4bS,5aS,6R,7R,7aR,8aR)-
Database identifiers
- CAS
60048-74-0- PubChem CID
- 3085173
- DTXSID
DTXSID10975477
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 434.1 · 434.1±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.88 · 12.88±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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