Basic information
- CAS
79203-48-8- Standard SMILES
CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](O)C[C@@H]12- InChIKey
CKDPEAINBFYEHJ-JDGKMSDRSA-N- Molecular formula
- C26H34O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25079494
Overview
Azadirone II, 7-deacetyl has been reported in Vepris grandifolia and Walsura trifoliolata with data available.
Names & identifiers
- Preferred name
- Azadirone II, 7-deacetyl
- IUPAC
- (5R,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
AZADIRONE II, 7-DEACETYLNSC34895279203-48-87-Deacetylazadirone IINSC-348952
Database identifiers
- CAS
79203-48-8- PubChem CID
- 336015
- Nikkaji
- J3.167.286D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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