Chem
J-GLOBAL ID：200907093850313634   Nikkaji number：J247.790D

Solasodane

ソラソダン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H45NO
Molecular formula furigana： C27-H45-N-O
Molecular weight： 399.663
InChI： InChI=1S/C27H45NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24,28H,5-16H2,1-4H3/t17-,18+,19?,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI key： KOZCINYDCJVLDW-LYLBMTSKSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CN2
Systematic name  (3)：
  • (22R,25R)-スピロソラン
  • (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-テトラメチル-5-オキサスピロ[ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-6,2'-ピペリジン]
  • (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]
Other name (3)：
  • Solasodane
  • ソラソダン
  • (22R,25R)-Spirosolane
CAS registry number： 24749-29-9
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