Chem
J-GLOBAL ID：200907077602159321   Nikkaji number：J1.235.309J

3-Acetyl-11-methoxy-1-(2-methylpropanoyl)meliacarpinin

3-アセチル-11-メトキシ-1-(2-メチルプロパノイル)メリアカルピニン
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： C34H46O14
Molecular formula furigana： C34-H46-O14
Molecular weight： 678.728
InChI： InChI=1S/C34H46O14/c1-15(2)24(36)46-19-12-18(45-16(3)35)28(4)13-43-21-22(28)31(19)14-44-33(41-8,26(37)40-7)25(31)29(5)23(21)48-30(6)17-11-20(34(29,30)39)47-27-32(17,38)9-10-42-27/h9-10,15,17-23,25,27,38-39H,11-14H2,1-8H3/t17-,18-,19+,20+,21-,22+,23-,25+,27+,28-,29-,30-,31+,32+,33+,34+/m1/s1
InChI key： IXWCYJGQNFQVLK-CBTDFOAYSA-N
SMILES： COC(=O)[C@@]1(OC)OC[C@@]23[C@H]4[C@@H](OC[C@]4(C)[C@@H](C[C@@H]2OC(=O)C(C)C)OC(=O)C)[C@H]2O[C@]4(C)[C@H]5C[C@H](O[C@@H]6OC=C[C@]56O)[C@]4(O)[C@@]2(C)[C@H]13
Systematic name  (3)：
  • (11S,13R,14R,15S,17S,20S,21S)-1α-(イソブチリルオキシ)-3α-アセトキシ-11-メトキシ-13-メチル-14,20-ジヒドロキシ-6α,28:7α,13:11,19:15,21:21,23-ペンタエポキシ-12,13-セコ-24,30,25,26,27-ペンタノル-5α-ダンマラ-22-エン-12-酸メチル
  • メチル (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-(アセチルオキシ)-7,14-ジヒドロキシ-4-メトキシ-6,16,22-トリメチル-25-[(2-メチルプロパノイル)オキシ]-3,9,11,17,20-ペンタオキサオクタシクロ[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]ヘプタコサ-12-エン-4-カルボキシラート
  • methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-(acetyloxy)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(2-methylpropanoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
Other name (3)：
  • (11S,13R,14R,15S,17S,20S,21S)-1α-(Isobutyryloxy)-3α-acetoxy-11-methoxy-13-methyl-14,20-dihydroxy-6α,28:7α,13:11,19:15,21:21,23-pentaepoxy-12,13-seco-24,30,25,26,27-pentanor-5α-dammara-22-ene-12-oic acid methyl ester
  • 3-アセチル-11-メトキシ-1-(2-メチルプロパノイル)メリアカルピニン
  • 3-Acetyl-11-methoxy-1-(2-methylpropanoyl)meliacarpinin
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