Basic information
- CAS
76207-54-0- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.O=C(O)c1ccccc1O.O=S([O-])(O)=S.[Al+3].[Na+].[OH-].[OH-].[OH-]- InChIKey
QYBKOGAYESLXCP-UYGYOKBVSA-J- Molecular formula
- C30H42AlNaO15S2
- Average molar mass
- 756.8 g/mol
- Monoisotopic mass
- 756.1678207
Names & identifiers
- Preferred name
- Corti-Jaikal
- IUPAC
- aluminum;sodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;2-hydroxybenzoic acid;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;trihydroxide
Names & synonyms
Corti-jaikal76207-54-0RefChem:919079aluminum;sodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;2-hydroxybenzoic acid;hydroxy-oxido-oxo-sulfanylidene-lambda6-sulfane;trihydroxidePregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11beta)-, mixt. with aluminum hydroxide (Al(OH)3), 2-hydroxybenzoic acid and thiosulfuric acid (H2S2O3) monosodium saltPregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11beta)-, mixt. with aluminum hydroxide, 2-hydroxybenzoic acid and thiosulfuric acid (H2S2O3) monosodium salt
Database identifiers
- CAS
76207-54-0- PubChem CID
- 192067
Properties
Computed structural properties
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 5
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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