Chem
J-GLOBAL ID：200907082331628308   Nikkaji number：J685.673J

Cotylenin A

コチレニンA
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： C33H50O11
Molecular formula furigana： C33-H50-O11
Molecular weight： 622.752
InChI： InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1
InChI key： SMQRKTIIIYTOTN-MZGHRPKVSA-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]3O[C@@]12O[C@@]3(C)[C@@H]1CO1
Systematic name  (4)：
  • (4R)-1,2,4,5,6,6aβ,7,8,9,10a-デカヒドロ-3-イソプロピル-4β-[[(2S)-3β-メチル-3-[(S)-オキシラニル]-5β-(メトキシメチル)-8α-ヒドロキシ-2,3,7,8-テトラヒドロ-8aαH-2β,4aβ-エポキシ-5H-ピラノ[3,4-b]-1,4-ジオキシン]-7α-イルオキシ]-9α-(メトキシメチル)-6α,10aα-ジメチルジシクロペンタ[a,d]シクロオクテン-5α,9-ジオール
  • (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-デカヒドロ-3-イソプロピル-9-(メトキシメチル)-6,10a-ジメチル-4-[[(2S,3S,4aS,5R,7S,8R,8aR)-2,3,7,8-テトラヒドロ-8-ヒドロキシ-3-メチル-5-(メトキシメチル)-3-[(S)-オキシラニル]-8aH-2,4a-エポキシ-5H-ピラノ[3,4-b]-1,4-ジオキシン]-7-イルオキシ]ジシクロペンタ[a,d]シクロオクテン-5,9-ジオール
  • (1R,4R,7S,8R,9R,10R)-10-{[(1S,2R,4S,5R,6R,8S,9S)-5-ヒドロキシ-2-(メトキシメチル)-9-メチル-9-[(2S)-オキシラン-2-イル]-3,7,10,11-テトラオキサトリシクロ[6.2.1.01,6]ウンデカン-4-イル]オキシ}-4-(メトキシメチル)-1,8-ジメチル-12-(プロパン-2-イル)トリシクロ[9.3.0.03,7]テトラデカ-2,11-ジエン-4,9-ジオール
  • (1R,4R,7S,8R,9R,10R)-10-{[(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-4-yl]oxy}-4-(methoxymethyl)-1,8-dimethyl-12-(propan-2-yl)tricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9-diol
Other name (4)：
  • コチレニンA
  • Cotylenin A
  • (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-Decahydro-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-4-[[(2S,3S,4aS,5R,7S,8R,8aR)-2,3,7,8-tetrahydro-8-hydroxy-3-methyl-5-(methoxymethyl)-3-[(S)-oxiranyl]-8aH-2,4a-epoxy-5H-pyrano[3,4-b]-1,4-dioxin]-7-yloxy]dicyclopenta[a,d]cyclooctene-5,9-diol
  • (4R)-1,2,4,5,6,6aβ,7,8,9,10a-Decahydro-3-isopropyl-4β-[[(2S)-3β-methyl-3-[(S)-oxiranyl]-5β-(methoxymethyl)-8α-hydroxy-2,3,7,8-tetrahydro-8aαH-2β,4aβ-epoxy-5H-pyrano[3,4-b]-1,4-dioxin]-7α-yloxy]-9α-(methoxymethyl)-6α,10aα-dimethyldicyclopenta[a,d]cyclooctene-5α,9-diol
CAS registry number： 12708-37-1
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