Basic information
- CAS
2309-32-2- Standard SMILES
CC(=O)OC1=CC2=CCC3C(CCC4(C)C(C(C)CCCC(C)C)CCC34)C2(C)CC1- InChIKey
DGCXQKBLGRZRTK-UHFFFAOYSA-N- Molecular formula
- C29H46O2
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.34978071
Names & identifiers
- Preferred name
- Cholesta-3,5-dien-3-yl acetate
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- Cholesta-3,5-dien-3-ol acetate
- Molecular formula
- C29H46O2
- Molecular weight
- 426.67
Names & synonyms
Cholesta-3,5-dien-3-yl acetate2309-32-23-Acetoxycholesta-3,5-dieneNSC134918Cholesta-3, acetateDTXSID80945763Cholesta-3,5-dien-3-ol acetateDGCXQKBLGRZRTK-UHFFFAOYSA-NCholesta-3,5-dien-3-yl acetate #AKOS024400688NSC-134918Cholest-3,5-diene-3.beta.-ol acetate
Show more names
Cholesta-3,5-dien-3-ol, acetate (6CI,7CI,8CI,9CI)(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Database identifiers
- CAS
2309-32-2- PubChem CID
- 281908
- DTXSID
DTXSID80945763- EC Number
- 104-179-7
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Physicochemical properties
- Melting point
- 81 °C · 81 °C(Solv: methanol (67-56-1))
- Boiling point
- 523.9 · 523.9±17.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…