Chem
J-GLOBAL ID:200907009192337329   Nikkaji number:J1.235.311A

Meliacarpinin D

メリアカルピニンD
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: C35H46O14
Molecular formula furigana: C35-H46-O14
Molecular weight: 690.739
InChI: InChI=1S/C35H46O14/c1-9-16(2)25(37)47-20-13-19(46-17(3)36)29(4)14-44-22-23(29)32(20)15-45-34(42-8,27(38)41-7)26(32)30(5)24(22)49-31(6)18-12-21(35(30,31)40)48-28-33(18,39)10-11-43-28/h9-11,18-24,26,28,39-40H,12-15H2,1-8H3/b16-9+/t18-,19-,20+,21+,22-,23+,24-,26+,28+,29-,30-,31-,32+,33+,34+,35+/m1/s1
InChI key: WGAIUYKEUVAWRD-VMBNEGJRSA-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)/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-(チグロイルオキシ)-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-{[(2E)-2-メチルブタ-2-エノイル]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-{[(2E)-2-methylbut-2-enoyl]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 (5):
  • (11S,13R,14R,15S,17S,20S,21S)-1α-(Tigloyloxy)-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
  • メリアカルピニンD
  • Meliacarpinin D
  • 3-アセチル-11-メトキシ-1-チグロイルメリアカルピニン
  • 3-Acetyl-11-methoxy-1-tigloylmeliacarpinin
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