(3-Butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
Basic information
- CAS
63042-19-3- Standard SMILES
CCCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(OC(=O)c3ccccc3)CCC12- InChIKey
JQFFZHSMBIWVHC-UHFFFAOYSA-N- Molecular formula
- C29H34O4
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.24570956
Names & identifiers
- Preferred name
- (3-Butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
- IUPAC
- (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
Names & synonyms
63042-19-3(3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoateDTXSID309789803-(Butanoyloxy)estra-1(10),2,4-trien-17-yl benzoate
Database identifiers
- CAS
63042-19-3- PubChem CID
- 44379
- DTXSID
DTXSID30978980
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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