Chem
J-GLOBAL ID：200907021987891618   Nikkaji number：J7.051C

Solanocapsin

ソラノカプシン
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： C27H46N2O2
Molecular formula furigana： C27-H46-N2-O2
Molecular weight： 430.677
InChI： InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+/m1/s1
InChI key： ZPTJKUUQUDRHTL-KVNUJFCLSA-N
SMILES： C[C@H]1CN[C@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1
Systematic name  (3)：
  • (25β)-3β-アミノ-16α,23β-エポキシ-16,28-セコ-5α-ソラニダン-23-オール
  • (1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20R,22S,24R)-7-アミノ-10,14,16,20-テトラメチル-23-オキサ-18-アザヘキサシクロ[12.11.0.02,11.05,10.015,24.017,22]ペンタコサン-22-オール
  • (1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol
Other name (3)：
  • ソラノカプシン
  • Solanocapsin
  • (25β)-3β-Amino-16α,23β-epoxy-16,28-seco-5α-solanidan-23-ol
CAS registry number： 639-86-1
Regulation number (1)：
  • WF0539000
KEGG COMPOUND： C10821
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