Cholest-5-ene-16,22-dione, 3beta,26-dihydroxy-, 3-acetate, (20S,25R)-
Basic information
- CAS
29853-25-6- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)[C@H]([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]4(C)CC[C@@H]32)C1- InChIKey
SOUPZQQZNVONPL-SJXKWANLSA-N- Molecular formula
- C29H44O5
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.3188745
Names & identifiers
- Preferred name
- Cholest-5-ene-16,22-dione, 3beta,26-dihydroxy-, 3-acetate, (20S,25R)-
- IUPAC
- [(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,6R)-7-hydroxy-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
- English name
- Acetic acid (20S,25R)-26-hydroxy-16,22-dioxocholest-5-en-3β-yl ester
- Molecular formula
- C29H44O5
- Molecular weight
- 472.65666
Names & synonyms
SOUPZQQZNVONPL-SJXKWANLSA-NCholest-5-ene-16,22-dione, 3.beta.,26-dihydroxy-, 3-acetate, (20S,25R)-26-Hydroxy-16,22-dioxocholest-5-en-3-yl acetate #Acetic acid (20S,25R)-26-hydroxy-16,22-dioxocholest-5-en-3β-yl ester
Database identifiers
- CAS
29853-25-6- PubChem CID
- 91691791
- Nikkaji
- J105.255A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 861
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Related reactions
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Compound notes
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