4076-62-4 Purity
96%
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Specification
The molecular formula of the keyword is C27H48.
Some synonyms for the keyword include alpha, alpha, alpha 20S-CHOLESTANE, (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene, and (20S)-5alpha(H),14alpha(H),17alpha(H)-Cholestane.
The molecular weight of the keyword is 372.7 g/mol.
The keyword was created on February 7, 2007.
The keyword was last modified on October 21, 2023.
The IUPAC name of the keyword is (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
The InChI of the keyword is InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22-,23+,24-,25-,26-,27+/m0/s1.
The InChIKey of the keyword is XIIAYQZJNBULGD-VANMJNHGSA-N.
The Canonical SMILES of the keyword is CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C.
The CAS number of the keyword is 41083-75-4.