Spirostan structure

Spirostan

(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]

Also Known As: Spirostan|spirostane|5xi-Spirostane|3-Desoxysmilagenin|(1'R,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]|(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]

CAS: 6173-22-4
Molecular Formula C27H44O2
Molecular Weight 400.33414 g/mol
LogP 6.823
Topological Polar Surface Area 18.46 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 400.33414
Monoisotopic Mass 400.33414
Heavy Atoms 29
Complexity 650.9232

Chemical Identifiers

CAS Number 6173-22-4
SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCCC5)C)C)O[C@]16CCC(CO6)C

Product Overview

Spirostan (CAS 6173-22-4), with molecular formula C27H44O2 and molecular weight 400.33414 g/mol. IUPAC: (1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane].

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