Basic information
- CAS
14237-76-4- Standard SMILES
CC1C(=O)C23CC1CCC2C12COC(O)C1C(C)(C)C(O)CC2OC3=O- InChIKey
XDIFXKVLMXAILB-UHFFFAOYSA-N- Molecular formula
- C20H28O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18858861
Overview
Dihydroenmein has been reported in Isodon trichocarpus with data available.
Names & identifiers
- Preferred name
- Dihydroenmein
- IUPAC
- 6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
- English name
- 2,20-Dihydroenmein
- Molecular formula
- C20H28O6
- Molecular weight
- 364.44
Names & synonyms
Dihydroenmein14237-76-46,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dioneNSC3766772,20-DihydroenmeinENMEIN, DIHYDRODTXSID10931417NSC-3766772,13-Dihydroxy-1,1,7-trimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dioneEnmein, 2,20-dihydro-, (2α)-
Database identifiers
- CAS
14237-76-4- PubChem CID
- 435804
- DTXSID
DTXSID10931417
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Melting point
- 274 · 274-275 °C (decomp)
- Boiling point
- 593.3 · 593.3±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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