Chem
J-GLOBAL ID：200907011637661690   Nikkaji number：J690.336C

Cotylenin C

コチレニンC
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： C33H52O11
Molecular formula furigana： C33-H52-O11
Molecular weight： 624.768
InChI： InChI=1S/C33H52O11/c1-16(2)18-8-10-31(4)12-20-19(9-11-33(20,37)15-39-7)17(3)24(34)27(23(18)31)42-29-25(35)28-26(21(41-29)13-38-6)44-32(5,22-14-40-22)30(36)43-28/h12,16-17,19,21-22,24-30,34-37H,8-11,13-15H2,1-7H3/t17-,19+,21-,22+,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+/m1/s1
InChI key： GKMVHAKFEMQPRE-GJAWIIESSA-N
SMILES： COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)C3=C[C@@]3(C)CCC(=C23)C(C)C)[C@H](O)[C@H]2O[C@@H](O)[C@@](C)(O[C@H]12)[C@@H]1CO1
Systematic name  (3)：
  • [[(4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-デカヒドロ-5,9-ジヒドロキシ-3-イソプロピル-9-(メトキシメチル)-6,10a-ジメチルジシクロペンタ[a,d]シクロオクテン]-4-イル]3-O,4-O-[(1R,2S)-1-ヒドロキシ-2-[(S)-オキシラニル]-1,2-プロパンジイル]-6-O-メチル-α-D-グルコピラノシド
  • (2R,3S,4aR,5R,7S,8R,8aR)-7-{[(3R,8R,9R,10R,11S,14R)-9,14-ジヒドロキシ-14-(メトキシメチル)-3,10-ジメチル-6-(プロパン-2-イル)トリシクロ[9.3.0.03,7]テトラデカ-1,6-ジエン-8-イル]オキシ}-5-(メトキシメチル)-3-メチル-3-[(2S)-オキシラン-2-イル]-ヘキサヒドロ-2H-ピラノ[3,4-b][1,4]ジオキシン-2,8-ジオール
  • (2R,3S,4aR,5R,7S,8R,8aR)-7-{[(3R,8R,9R,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.03,7]tetradeca-1,6-dien-8-yl]oxy}-5-(methoxymethyl)-3-methyl-3-[(2S)-oxiran-2-yl]-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-2,8-diol
Other name (3)：
  • コチレニンC
  • Cotylenin C
  • [[(4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-Decahydro-5,9-dihydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten]-4-yl]3-O,4-O-[(1R,2S)-1-hydroxy-2-[(S)-oxiranyl]-1,2-propanediyl]-6-O-methyl-α-D-glucopyranoside
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