Basic information
- CAS
28399-44-2- Standard SMILES
COC1CCC2(C)C(CCC3C4CCC(OC(C)=O)C4(C)CCC32)O1- InChIKey
PQAKWFPNNZNIJB-UHFFFAOYSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- 2-Methoxy-4a,6a-dimethylhexadecahydroindeno[5,4-f]chromen-7-yl acetate
- IUPAC
- (7-methoxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-1-yl) acetate
Names & synonyms
28399-44-22-methoxy-4a,6a-dimethylhexadecahydroindeno[5,4-f]chromen-7-yl acetateNSC103367DTXSID90295620NSC-1033672-Methoxy-4a,6a-dimethylhexadecahydrocyclopenta[5,6]naphtho[2,1-b]pyran-7-yl acetate
Database identifiers
- CAS
28399-44-2- PubChem CID
- 266159
- DTXSID
DTXSID90295620
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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