5alpha-Stigmastane
Basic information
- CAS
62446-14-4- Standard SMILES
CCC(CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C)C(C)C- InChIKey
GKBHKNPLNHLYHT-UHFFFAOYSA-N- Molecular formula
- C29H52
- Average molar mass
- 400.7 g/mol
- Monoisotopic mass
- 400.40690166
Overview
C29-steroid is a steroid.
Names & identifiers
- Preferred name
- 5alpha-Stigmastane
- IUPAC
- 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
- English name
- alpha, alpha, alpha 20r 24r-ethylcholestane
- Molecular formula
- C29H52
- Molecular weight
- 400.72
Names & synonyms
alpha, beta, beta 20R 24R-ETHYLCHOLESTANEalpha, alpha, alpha 20R 24R-ETHYLCHOLESTANE5.alpha.-StigmastaneStigmastane, (5.alpha.)-NSC-226901C29-steroida C29-steroidbeta alpha alpha 20R 24R-ETHYLCHOLESTANECHEBI:188923NSC226901Stigmastane, (5α)-ααα (20R,24R)-24-Ethylcholestane in isooctane
Show more names
ααα (20R,24R)-24-Ethylcholestane 100 μg/mL in isooctane
Database identifiers
- CAS
62446-14-4- PubChem CID
- 313279
- ChEBI
CHEBI:188923
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 464.1 · 464.1±12.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- FDA UNII
- 5 GAZ3ZUE · EA5GAZ3ZUE
- EPA Substance Registry System
- Stigmastane, (5.alpha.)- (62446-14-4)
Chemistry & industry
Additional notes
DefinitionChEBI: 5alpha-stigmastane is a stigmastane.
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