Cholestan-3-one, 14-methyl-, (5α)-
CAS Registry Number®
54411-55-1
CAS Name
Cholestan-3-one, 14-methyl-, (5α)-Molecular Formula
C28H48OMolecular Mass
400.68Cite this Page
Cholestan-3-one, 14-methyl-, (5α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=54411-55-1 (retrieved ) (CAS RN: 54411-55-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
161-162 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3/t20-,21+,23-,24+,25-,26+,27-,28+/m1/s1
InChIKey
InChIKey=ZMYBKDLUDWAJSA-DPLNCCJLSA-N
SMILES
C[C@]12[C@]3([C@@]([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])(CC[C@]1(C)[C@@]([C@@H](CCCC(C)C)C)(CC2)[H])[H])[H]
Canonical SMILES
O=C1CCC2(C)C(C1)CCC3C2CCC4(C)C(CCC34C)C(C)CCCC(C)C
Other Names for this Substance
- Cholestan-3-one, 14-methyl-, (5α)-