Chem
J-GLOBAL ID：200907057062363810   Nikkaji number：J989.916B

(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,7R,8R,8aR)-2,3,7,8-tetrahydro-8-acetoxy-3-methyl-5-(methoxymethyl)-3-[(S)-1-acetoxyethyl]-8aH-2,4a-epoxy-5H-pyrano[3,4-b]-1,4-dioxin]-7-yl]dicyclopenta[a,d]cyclooctene-5,9-diol

(1S)-1-[(1S,2R,4R,5R,6R,8S,9S)-5-(アセチルオキシ)-4-[(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]-2-(メトキシメチル)-9-メチル-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-9-イル]エチル アセタート
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： C37H56O12
Molecular formula furigana： C37-H56-O12
Molecular weight： 692.843
InChI： InChI=1S/C37H56O12/c1-18(2)23-11-13-34(7)15-25-24(12-14-36(25,41)17-43-10)19(3)29(40)27(28(23)34)30-31(45-22(6)39)32-37(26(46-30)16-42-9)48-33(47-32)35(8,49-37)20(4)44-21(5)38/h15,18-20,24,26-27,29-33,40-41H,11-14,16-17H2,1-10H3/t19-,20+,24+,26-,27-,29-,30-,31-,32-,33+,34-,35+,36+,37-/m1/s1
InChI key： BFSUIWHEDJPQTD-YCRJWDKWSA-N
SMILES： COC[C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H]2O[C@H]3O[C@@]12O[C@@]3(C)[C@H](C)OC(=O)C)[C@H]1[C@H](O)[C@H](C)[C@@H]2CC[C@](O)(COC)C2=C[C@@]2(C)CCC(=C12)C(C)C
Systematic name  (3)：
  • (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,7R,8R,8aR)-2,3,7,8-テトラヒドロ-8-アセトキシ-3-メチル-5-(メトキシメチル)-3-[(S)-1-アセトキシエチル]-8aH-2,4a-エポキシ-5H-ピラノ[3,4-b]-1,4-ジオキシン]-7-イル]ジシクロペンタ[a,d]シクロオクテン-5,9-ジオール
  • (1S)-1-[(1S,2R,4R,5R,6R,8S,9S)-5-(アセチルオキシ)-4-[(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]-2-(メトキシメチル)-9-メチル-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-9-イル]エチル アセタート
  • (1S)-1-[(1S,2R,4R,5R,6R,8S,9S)-5-(acetyloxy)-4-[(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]-2-(methoxymethyl)-9-methyl-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-9-yl]ethyl acetate
Other name (1)：
  • (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,7R,8R,8aR)-2,3,7,8-tetrahydro-8-acetoxy-3-methyl-5-(methoxymethyl)-3-[(S)-1-acetoxyethyl]-8aH-2,4a-epoxy-5H-pyrano[3,4-b]-1,4-dioxin]-7-yl]dicyclopenta[a,d]cyclooctene-5,9-diol
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