Chem
J-GLOBAL ID：200907013389556380
Nikkaji number：J2.144.066C
Digoxin 3′′-hemisuccinylleucine
ジゴキシン3′′-ヘミスクシニルロイシン
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
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
Molecular formula： C51H79NO18
Molecular formula furigana： C51-H79-N-O18
Molecular weight： 994.182
InChI：
InChI=1S/C51H79NO18/c1-24(2)16-34(48(60)61)52-39(56)10-11-40(57)68-37-22-44(66-27(5)47(37)70-43-20-35(53)45(59)25(3)64-43)69-46-26(4)65-42(21-36(46)54)67-30-12-14-49(6)29(18-30)8-9-32-33(49)19-38(55)50(7)31(13-15-51(32,50)62)28-17-41(58)63-23-28/h17,24-27,29-38,42-47,53-55,59,62H,8-16,18-23H2,1-7H3,(H,52,56)(H,60,61)/t25-,26-,27-,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,42+,43+,44+,45-,46-,47-,49+,50+,51+/m1/s1
InChI key：
KJVVNAZBUNBYLQ-MITLKQQXSA-N
SMILES：
CC(C)C[C@H](NC(=O)CCC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C(=O)O
Systematic name (3)：
- 3β-[[4-O-[3-O-[3-[[(1S)-1-カルボキシ-3-メチルブチル]カルバモイル]プロピオニル]-4-O-(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]-12β,14-ジヒドロキシ-5β,14β-カルダ-20(22)-エノリド
- (2S)-2-(4-{[(2R,3R,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-3a,11-ジヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-4-ヒドロキシ-2-メチルオキサン-3-イル]オキシ}-3-{[(2S,4S,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-2-メチルオキサン-4-イル]オキシ}-4-オキソブタンアミド)-4-メチルペンタン酸
- (2S)-2-(4-{[(2R,3R,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-3a,11-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-3-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-2-methyloxan-4-yl]oxy}-4-oxobutanamido)-4-methylpentanoic acid
- 3β-[[4-O-[3-O-[3-[[(1S)-1-Carboxy-3-methylbutyl]carbamoyl]propionyl]-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-2,6-dideoxy-β-D-ribo-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-12β,14-dihydroxy-5β,14β-carda-20(22)-enolide
- ジゴキシン3′′-ヘミスクシニルロイシン
- Digoxin 3′′-hemisuccinylleucine
Return to Previous Page
