19-Norspiroxenone
Basic information
- CAS
52-02-8- Standard SMILES
C[C@]12CC[C@@H]3C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21CCCO1- InChIKey
UVAQHLGVSKJLTI-HFHQCTHJSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Overview
RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 19-Norspiroxenone
- IUPAC
- (8R,9S,13S,14S,17S)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Names & synonyms
19-Norspiroxenone52-02-8DTXSID1010189122',3'-alpha-Tetrahydrofuran-2'-spiro-17-(estr-4-en-3-one)RefChem:79537DTXCID301476926SC 13664NSC 89030Spiro(estr-4-ene-17,2'(3'H)-furan)-3-one, 4',5'-dihydro-(1S,3aS,3bR,9bS,11aS)-11a-Methyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7(3bH)-one
Database identifiers
- CAS
52-02-8- PubChem CID
- 65514
- DTXSID
DTXSID101018912
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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