16-Hydroxy-9-methyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one
Basic information
- CAS
5255-51-6- Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC1CC(=O)OC12- InChIKey
FKUBBKBYUHOFTK-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- 16-Hydroxy-9-methyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one
- IUPAC
- 16-hydroxy-9-methyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one
Names & synonyms
NSC525581DTXSID50326227NSC-5255813,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone2-Hydroxy-6a-methyl-4b,5,6,6a,6b,9,9a,10,10a,10b,11,12-dodecahydro-8H-naphtho[2',1':4,5]indeno[1,2-b]furan-8-one
Database identifiers
- CAS
5255-51-6- PubChem CID
- 352263
- DTXSID
DTXSID50326227
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…