Basic information
- Standard SMILES
CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)[C@@H](OC)O1- InChIKey
YCGYYZXBHVNOIX-YELFZQJRSA-N- Molecular formula
- C24H40O6
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.282489
Overview
(1S,2S,2''S,4S,4aR,5'R,5''S,8aR)-4-Acetoxy-3,4,4a,5,6,7,8,8a-octahydro-2'',5''-dimethoxy-2,5,5,8a-tetramethyldispiro[naphthalene-1(2H),2'-oxolane-5',4''-oxolane] has been reported in Vitex rotundifolia and Vitex trifolia with data available.
Names & identifiers
- Preferred name
- CID 100992389
Database identifiers
- Nikkaji
- J1.213.354E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…