27-Nor-24,25-dihydrolanosterol
Basic information
- CAS
73196-96-0- Standard SMILES
CCCCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3- InChIKey
BEIRSHXJIVLGHE-LRACWDLYSA-N- Molecular formula
- C29H50O
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.38616621
Overview
cpd not in Chemline 7/11/83; structure in first source
Names & identifiers
- Preferred name
- 27-Nor-24,25-dihydrolanosterol
- IUPAC
- (3S,10S,13R,14R,17R)-17-[(2R)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 27-nor-24,25-dihydrolanosterol
- Molecular formula
- C29H50O
- Molecular weight
- 414.71
Names & synonyms
27-Nor-24,25-dihydrolanosterol73196-96-027-Norlanost-8-en-3-ol, (3beta)-RefChem:89979(3S,10S,13R,14R,17R)-17-[(2R)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
73196-96-0- PubChem CID
- 194497
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Boiling point
- 487.858 · 487.858±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.981 · 0.981±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.162 · 15.162±0.70(predicted)
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Related reactions
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Compound notes
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