Chem
J-GLOBAL ID:200907088940108750
Nikkaji number:J1.355.871J
[(25S)-2β-Acetoxy-5β-spirostane-3β-yl]2-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-3-O,4-O,6-O-triacetyl-β-D-galactopyranoside
[(25S)-2β-アセトキシ-5β-スピロスタン-3β-イル]2-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシド
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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:
C55 H80 O22
Molecular formula furigana:
C55-H80-O22
Molecular weight:
1093.223
InChI:
InChI=1S/C55H80O22/c1-25-15-18-55(66-22-25)26(2)44-40(77-55)20-38-36-14-13-35-19-39(41(67-29(5)58)21-54(35,12)37(36)16-17-53(38,44)11)73-51-50(48(71-33(9)62)46(69-31(7)60)42(74-51)23-64-27(3)56)76-52-49(72-34(10)63)47(70-32(8)61)45(68-30(6)59)43(75-52)24-65-28(4)57/h25-26,35-52H,13-24H2,1-12H3/t25-,26-,35+,36+,37-,38-,39+,40-,41-,42+,43+,44-,45+,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+/m0/s1
InChI key:
ZXKVSKRUCCOTFK-QHOHSULASA-N
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]6O[C@@H]6O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)[C@H](C[C@]5(C)[C@H]4CC[C@]23C)OC(=O)C)O[C@@]21CC[C@H](C)CO2
Systematic name (3):
[(25S)-2β-アセトキシ-5β-スピロスタン-3β-イル]2-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシド
[(2R,3S,4S,5R,6R)-3,4-ビス(アセチルオキシ)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'S,16'R,18'R)-15'-(アセチルオキシ)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサン]オキシ]-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3S,4S,5R,6R)-3,4-bis(acetyloxy)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'S,16'R,18'R)-15'-(acetyloxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosane]oxy]-5-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
[(25S)-2β-Acetoxy-5β-spirostane-3β-yl]2-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-3-O,4-O,6-O-triacetyl-β-D-galactopyranoside
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