Chem
J-GLOBAL ID:200907024836304035   Nikkaji number:J549.921F

13,20-Epoxy-3-[[2-[(tert-butoxycarbonyl)amino]decanoyl]oxy]-11β,12α-dihydroxy-15β-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicras-3-en-21-amide

13,20-エポキシ-3-[[2-[(tert-ブトキシカルボニル)アミノ]デカノイル]オキシ]-11β,12α-ジヒドロキシ-15β-[(3-メチル-1-オキソ-2-ブテニル)オキシ]-2,16-ジオキソピクラサ-3-エン-21-アミド
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: C40H58N2O13
Molecular formula furigana: C40-H58-N2-O13
Molecular weight: 774.905
InChI: InChI=1S/C40H58N2O13/c1-9-10-11-12-13-14-15-23(42-36(50)55-37(5,6)7)33(47)54-28-21(4)22-17-25-39-19-51-40(35(41)49,32(46)27(45)30(39)38(22,8)18-24(28)43)31(39)29(34(48)52-25)53-26(44)16-20(2)3/h16,22-23,25,27,29-32,45-46H,9-15,17-19H2,1-8H3,(H2,41,49)(H,42,50)/t22-,23?,25+,27+,29+,30+,31+,32-,38-,39+,40-/m0/s1
InChI key: NIFFBCOJOBLGOX-FFPUJSMQSA-N
SMILES: CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)OC1=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]4[C@@]53CO[C@@]4([C@@H](O)[C@H](O)[C@@H]5[C@@]2(C)CC1=O)C(=O)N
Systematic name  (3):
  • 13,20-エポキシ-3-[[2-[(tert-ブトキシカルボニル)アミノ]デカノイル]オキシ]-11β,12α-ジヒドロキシ-15β-[(3-メチル-1-オキソ-2-ブテニル)オキシ]-2,16-ジオキソピクラサ-3-エン-21-アミド
  • (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-17-カルバモイル-15,16-ジヒドロキシ-9,13-ジメチル-3-[(3-メチルブタ-2-エノイル)オキシ]-4,11-ジオキソ-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-10-イル 2-{[(tert-ブトキシ)カルボニル]アミノ}デカノアート
  • (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-17-carbamoyl-15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl 2-{[(tert-butoxy)carbonyl]amino}decanoate
Other name (1):
  • 13,20-Epoxy-3-[[2-[(tert-butoxycarbonyl)amino]decanoyl]oxy]-11β,12α-dihydroxy-15β-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicras-3-en-21-amide
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