7alpha-Acetoxyroylenane
Basic information
- CAS
6812-88-0- Standard SMILES
CC(=O)OC1CC2C(C)(C)CCC[C@]2(C)C2=C1C(O)=C(C(C)C)C(=O)C2=O- InChIKey
MNEJUZVNGNCLJU-PZEOVBFPSA-N- Molecular formula
- C22H30O5
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.20932405
Names & identifiers
- Preferred name
- 7alpha-Acetoxyroylenane
- IUPAC
- [(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
Names & synonyms
NSC6255577.alpha.-Acetoxyroyleanone7alpha-acetoxyroylenaneNSC753734NSC-625557NSC-753734Podocarpa-8,14-dione, 7,12-dihydroxy-13-isopropyl-, 7-acetate (7CI, 8CI)1, 10-(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy- 4b,8,8-trimethyl-2-(1-methylethyl)-, [4bS-(4b.alpha., 8a.beta.,10.beta.)]-
Database identifiers
- CAS
6812-88-0- PubChem CID
- 362048
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 783
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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