1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5alpha,8beta,9alpha,10beta,13beta,14alpha,17beta(S*)]]-
Basic information
- CAS
474-20-4- Standard SMILES
CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C)(C)CCCC4(C)C3CCC12C- InChIKey
ZQIOPEXWVBIZAV-UHFFFAOYSA-N- Molecular formula
- C30H54
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.42255172
Overview
See also: Lanostane (annotation moved to).
Names & identifiers
- Preferred name
- 1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5alpha,8beta,9alpha,10beta,13beta,14alpha,17beta(S*)]]-
- IUPAC
- 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
SCHEMBL3326661H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5.alpha.,8.beta.,9.alpha.,10.beta.,13.beta.,14.alpha.,17.beta.(S*)]]-
Database identifiers
- CAS
474-20-4- PubChem CID
- 101700
- DTXSID
DTXSID60963824
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
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Related reactions
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Compound notes
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