[12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
53608-88-1- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c4ccccc4)c4ccccc4)CCC32)C1- InChIKey
PXGXVJQZVLXWGR-UHFFFAOYSA-N- Molecular formula
- C40H52O4
- Average molar mass
- 596.8 g/mol
- Monoisotopic mass
- 596.38656014
Names & identifiers
- Preferred name
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- 3,12-DIACETOXY-BIS-NOR-CHOLANYLDIPHENYLETHYLENE
- Molecular formula
- C40H52O4
- Molecular weight
- 596.84
Names & synonyms
3,12-Diacetoxy-bis-nor-cholanyldiphenylethylene53608-88-1[12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate24,24-diphenylchol-23-ene-3,12-diyl diacetateNSC82872DTXSID10968384NSC 82872NSC-82872STK870277AKOS00563825012-(acetyloxy)-24,24-diphenylchol-23-en-3-yl acetate(3|A,5|A,12|A)-24,24-Diphenyl-chol-23-ene-3,12-diol
Show more names
(3α,5β,12α)-24,24-Diphenyl-Chol-23-ene-3,12-diol, 24,24-diphenyl-, 3,12-diacetate, (3α,5β,12α)-
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 10.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Melting point
- 156 · 156-158°C
- Boiling point
- 648.41 · 648.410±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.12 · 1.120±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform
- form
- Solid
- color
- White Crystalline
- CAS DataBase Reference
- 53608 · 53608-88-1
Chemistry & industry
Applications
Uses3,12-Diacetoxy-bis-nor-cholanyldiphenylethylene (cas# 53608-88-1) is a compound useful in organic synthesis.
Related reactions
1 records
Compound notes
Loading…