Cerapp_53193
Basic information
- CAS
14982-53-7- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C- InChIKey
XIIAYQZJNBULGD-UHFFFAOYSA-N- Molecular formula
- C27H48
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 372.37560153
Overview
C27-steroid is a C27-steroid.
Names & identifiers
- Preferred name
- Cerapp_53193
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
RefChem:1081354CERAPP_53193DTXCID80220027DTXSID00870548Cholestane5|A-cholestaneC27H48Cholestane, (5.alpha.)-.alpha.-Cholestanealpha, beta, beta 20R-CHOLESTANE5.alpha.-Cholestanea C27-steroid
Show more names
Cholestane (VAN8C28,30-TrinorlanostaneCholestadiene, (5.alpha.)-SCHEMBL7126727CHEBI:188919MFCD00067141NSC140722NSC224313
Database identifiers
- CAS
14982-53-7、481-21-0- PubChem CID
- 10202
- ChEBI
CHEBI:188919- EC Number
- 239-062-0
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
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Related reactions
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Compound notes
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