Chem
J-GLOBAL ID:200907049495632856   Nikkaji number:J1.290.639K

(17α)-12β-Acetoxy-3β-[[4-O-[4-O-[4-O-(3-O-methyl-2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-8,14β-dihydroxypregna-5-ene-20-one

(17α)-12β-アセトキシ-3β-[[4-O-[4-O-[4-O-(3-O-メチル-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]オキシ]-8,14β-ジヒドロキシプレグナ-5-エン-20-オン
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: C48H76O18
Molecular formula furigana: C48-H76-O18
Molecular weight: 941.118
InChI: InChI=1S/C48H76O18/c1-22(49)30-12-15-48(56)46(30,8)36(62-27(6)50)21-35-45(7)13-11-29(16-28(45)10-14-47(35,48)55)63-37-17-31(51)42(24(3)59-37)64-38-18-32(52)43(25(4)60-38)65-39-19-33(53)44(26(5)61-39)66-40-20-34(57-9)41(54)23(2)58-40/h10,23-26,29-44,51-56H,11-21H2,1-9H3/t23-,24-,25-,26-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48-/m1/s1
InChI key: WVRUMQGUKAYZDR-ZPWIDKHCSA-N
SMILES: CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)C)[C@]5(C)[C@@H](CC[C@]5(O)[C@]4(O)CC=C3C2)C(=O)C)O[C@H](C)[C@H]1O
Systematic name  (3):
  • (17α)-12β-アセトキシ-3β-[[4-O-[4-O-[4-O-(3-O-メチル-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]オキシ]-8,14β-ジヒドロキシプレグナ-5-エン-20-オン
  • (1R,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-アセチル-3a,3b-ジヒドロキシ-7-{[(2R,4S,5S,6R)-4-ヒドロキシ-5-{[(2S,4S,5S,6R)-4-ヒドロキシ-5-{[(2S,4S,5S,6R)-4-ヒドロキシ-5-{[(2S,4R,5R,6R)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-11-イル アセタート
  • (1R,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-3a,3b-dihydroxy-7-{[(2R,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl acetate
Other name (1):
  • (17α)-12β-Acetoxy-3β-[[4-O-[4-O-[4-O-(3-O-methyl-2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-8,14β-dihydroxypregna-5-ene-20-one
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