Chem
J-GLOBAL ID：200907036903690229   Nikkaji number：J2.032.248I

22-Isopimpifolidine

22-イソピンピホリジン
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： C52H87NO22
Molecular formula furigana： C52-H87-N-O22
Molecular weight： 1078.253
InChI： InChI=1S/C52H87NO22/c1-20-14-52(66)44(53-15-20)21(2)32-26(75-52)13-24-22-7-8-30-49(3,4)31(10-12-50(30,5)23(22)9-11-51(24,32)6)71-46-40(65)37(62)41(29(18-56)70-46)72-48-43(74-47-39(64)36(61)34(59)27(16-54)68-47)42(35(60)28(17-55)69-48)73-45-38(63)33(58)25(57)19-67-45/h20-48,53-66H,7-19H2,1-6H3/t20-,21-,22+,23-,24-,25+,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,50+,51-,52-/m0/s1
InChI key： FEAQDEHNVUXOSO-RLJPWLGZSA-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)(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@]2(O)C1
Systematic name  (3)：
  • (22S,23S,25S)-3β-[4-O-(2-O-β-D-グルコピラノシル-3-O-β-D-キシロピラノシル-β-D-グルコピラノシル)-β-D-ガラクトピラノシルオキシ]-30-ノル-16β,23-エポキシ-22α,26-エピミノ-5α-ラノスタン-23-オール
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-ジヒドロキシ-6-{[(1S,2R,5R,7S,10R,11S,14S,15R,16S,17S,20S,22S,24S)-22-ヒドロキシ-6,6,10,14,16,20-ヘキサメチル-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-7-イル]オキシ}-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-{[(1S,2R,5R,7S,10R,11S,14S,15R,16S,17S,20S,22S,24S)-22-hydroxy-6,6,10,14,16,20-hexamethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-7-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (22S,23S,25S)-3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-30-nor-16β,23-epoxy-22α,26-epimino-5α-lanostan-23-ol
  • 22-Isopimpifolidine
  • 22-イソピンピホリジン
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