[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-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
Basic information
- CAS
4144-29-0- Standard SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC=C(c4ccccc4)c4ccccc4)CC[C@@H]32)C1- InChIKey
IOZUIJBWQRNOTM-ONDQODQBSA-N- Molecular formula
- C38H50O2
- Average molar mass
- 538.8 g/mol
- Monoisotopic mass
- 538.38108083
Overview
See other relationships...
Names & identifiers
- Preferred name
- [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-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
- [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-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
- Chol-23-en-3-ol,24,24-diphenyl-, acetate, (3a,5b)- (9CI)
- Molecular formula
- C38H50O2
- Molecular weight
- 538.8024
Names & synonyms
4144-29-0NSC811124,24-diphenylchol-23-en-3-yl acetateDTXSID60961683NSC-811124,24-Diphenyl-5beta-chol-23-en-3alpha-yl acetateChol-23-en-3-ol,24,24-diphenyl-, acetate, (3a,5b)- (9CI)ACETIC ACID DIMETHYL-(ME-DIPHENYL-BUT-ENYL)-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
Database identifiers
- CAS
4144-29-0- PubChem CID
- 222291
- DTXSID
DTXSID60961683
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 888
Physicochemical properties
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazard statements
- H413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…