5alpha-Cholestane-3beta,4beta,6alpha,8,15alpha,16beta,26-heptol
Basic information
- CAS
93368-88-8- Standard SMILES
CC(CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O- InChIKey
WXGHOWLKEUMJEN-JEYQDRJASA-N- Molecular formula
- C27H48O7
- Average molar mass
- 484.7 g/mol
- Monoisotopic mass
- 484.34000387
Names & identifiers
- Preferred name
- 5alpha-Cholestane-3beta,4beta,6alpha,8,15alpha,16beta,26-heptol
- IUPAC
- (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15,16-hexol
- English name
- 5α-Cholestane-3β,4β,6α,8β,15α,16β,26-heptaol
- Molecular formula
- C27H48O7
- Molecular weight
- 484.67
Names & synonyms
5alpha-Cholestane-3beta,4beta,6alpha,8,15alpha,16beta,26-heptol93368-88-8Cholestane-3,4,6,8,15,16,26-heptolDTXSID70918481WXGHOWLKEUMJEN-JEYQDRJASA-NCholestane-3,4,6,8,15,16,26-heptol, (3beta,4beta,5alpha,6alpha,15alpha,16beta)-Cholestane-3,4,6,8,15,16,26-heptol #5.alpha.-Cholestane-3.beta.,4.beta.,6.alpha.,8,15.alpha.,16.beta.,26-heptol5α-Cholestane-3β,4β,6α,8β,15α,16β,26-heptaolCholestane-3,4,6,8,15,16,26-heptol, (3β,4β,5α,6α,15α,16β)- (9CI)
Database identifiers
- CAS
93368-88-8- PubChem CID
- 185258
- DTXSID
DTXSID70918481- Nikkaji
- J146.652F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- Boiling point
- 635 · 635.0±55.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 14.04 · 14.04±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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