Basic information
- Standard SMILES
CC(C)=CC[C@@H](O)/C(C)=C/[C@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1- InChIKey
NFXNEAJDYTXPLG-MIATVKFGSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932406
Overview
7-[(2E,5R,6E,8R)-5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one has been reported in Ferula assa-foetida and Ferula foetida with data available.
Names & identifiers
- Preferred name
- 7-[(2E,5R,6E,8R)-5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
- IUPAC
- 7-[(2E,5R,6E,8R)-5,8-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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