[17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
Basic information
- CAS
18046-82-7- Standard SMILES
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)CC(=O)C3C12C- InChIKey
YLKHFXUUZIHXPY-UHFFFAOYSA-N- Molecular formula
- C28H36O5
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.25627424
Names & identifiers
- Preferred name
- [17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
- IUPAC
- [17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
Names & synonyms
18046-82-7NSC349983[17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetateDTXSID50319735NEOTRICHILINONE, 7-ACETYL-NSC-34998317-(Furan-3-yl)-4,4,8-trimethyl-3,15-dioxoandrost-1-en-7-yl acetate
Database identifiers
- CAS
18046-82-7- PubChem CID
- 336302
- DTXSID
DTXSID50319735
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 919
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Related reactions
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Compound notes
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