3-Aza-A-homocholestan-4-one, (5alpha)-
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Basic information
- CAS
20283-99-2- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)NCCC4(C)C3CCC12C- InChIKey
QJSFAHRXRVJDII-UHFFFAOYSA-N- Molecular formula
- C27H47NO
- Average molar mass
- 401.7 g/mol
- Monoisotopic mass
- 401.36576512
Names & identifiers
- Preferred name
- 3-Aza-A-homocholestan-4-one, (5alpha)-
- IUPAC
- 2,16-dimethyl-15-(6-methylheptan-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-6-one
- English name
- 3-Aza-A-homo-5α-cholestan-4-one
- Molecular formula
- C27H47NO
- Molecular weight
- 401.67
Names & synonyms
3-Aza-A-homocholestan-4-one, (5.alpha.)-20283-99-2DTXSID903251983-Aza-A-homocholestan-4-one, (5alpha)-RefChem:276728DTXCID10276315NSC409180QJSFAHRXRVJDII-UHFFFAOYSA-N3-Aza-A-homo-5alpha-cholestan-4-oneNSC-409180Cyclopenta[5,6]naphth[1,2-d]azepin-2(1H)-one, 8.beta.-(1,5-dimethylhexyl)-3,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl-5a,7a-Dimethyl-8-(6-methylheptan-2-yl)hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one
Show more names
3-Aza-A-homo-5α-cholestan-4-oneCyclopenta[5,6]naphth[1,2-d]azepin-2(1H)-one, 8-[(1R)-1,5-dimethylhexyl]hexadecahydro-5a,7a-dimethyl-, (5aS,5bS,7aR,8R,10aS,10bR,12aS)-
8-(1,5-Dimethylhexyl)-5a,7a-dimethylhexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one #Cyclopenta[5,2-d]azepin-2(1H)-one, 8.beta.-(1,5-dimethylhexyl)-3,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl-
Database identifiers
- CAS
20283-99-2- PubChem CID
- 349449
- DTXSID
DTXSID90325198
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
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Compound notes
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