Chem
J-GLOBAL ID：200907056051397377   Nikkaji number：J59.535G

Solasodine

ソラソジン
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： C27H43NO2
Molecular formula furigana： C27-H43-N-O2
Molecular weight： 413.646
InChI： InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI key： KWVISVAMQJWJSZ-VKROHFNGSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CN2
Systematic name  (4)：
  • (3β,22R,25R)-スピロソラ-5-エン-3-オール
  • (22R,25R)-スピロソラ-5-エン-3β-オール
  • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-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'-ピペリジナ]-18-エン-16-オール
  • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-18-en-16-ol
Other name (13)：
  • ソラソジン
  • ソラニジンS
  • ソランカルピジン
  • プラプリジン
  • Salasod-5-en-3β-ol
Show all
CAS registry number： 126-17-0
Regulation number (2)：
  • WF1300000
  • EINECS2047742
KEGG COMPOUND： C10822
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