Basic information
- CAS
30888-59-6- Standard SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21OB(c2ccccc2)OCC1=O- InChIKey
MXXIBKYBKIRLCJ-RMDYWINASA-N- Molecular formula
- C27H35BO4
- Average molar mass
- 434.4 g/mol
Names & identifiers
- Preferred name
- (4R,5'R,8'R,9'S,10'S,13'S,14'S)-10',13'-dimethyl-2-phenylspiro[1,3,2-dioxaborinane-4,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3',5-dione
- IUPAC
- (4R,5'R,8'R,9'S,10'S,13'S,14'S)-10',13'-dimethyl-2-phenylspiro[1,3,2-dioxaborinane-4,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3',5-dione
- English name
- 17,21-[(Phenylboranediyl)bisoxy]-5β-pregnane-3,20-dione
- Molecular formula
- C27H35BO4
- Molecular weight
- 434.38
Names & synonyms
17,21-[(Phenylboranediyl)bisoxy]-5β-pregnane-3,20-dionePregnane-3,20-dione, 17,21-[(phenylborylene)bis(oxy)]-, (5β)- (9CI)
Database identifiers
- CAS
30888-59-6- Nikkaji
- J114.679C
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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