Basic information
- CAS
4146-87-6- Standard SMILES
CC#CCC1(O)CCC2C3CCc4cc(OC(C)=O)ccc4C3CCC21C- InChIKey
LWBABGAYQFRZCT-UHFFFAOYSA-N- Molecular formula
- C24H30O3
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.21949481
Names & identifiers
- Preferred name
- (17-but-2-ynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
- IUPAC
- (17-but-2-ynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
(17-but-2-ynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate4146-87-6DTXSID802746611-(But-2-yn-1-yl)-1-hydroxy-11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Database identifiers
- CAS
4146-87-6- PubChem CID
- 20099
- DTXSID
DTXSID80274661
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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