Chem
J-GLOBAL ID:200907001845525150   Nikkaji number:J270.912K

(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-2α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-6α-[2-O-(3-acetyloxy-4-methoxycinnamoyl)-3-O,4-O-diacetyl-6-deoxy-α-L-mannopyranosyloxy]-1aβ-(acetoxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran

(1aS)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-2α-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)-6α-[2-O-(3-アセチルオキシ-4-メトキシシンナモイル)-3-O,4-O-ジアセチル-6-デオキシ-α-L-マンノピラノシルオキシ]-1aβ-(アセトキシメチル)オキシレノ[4,5]シクロペンタ[1,2-c]ピラン
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: C47H56O25
Molecular formula furigana: C47-H56-O25
Molecular weight: 1020.940
InChI: InChI=1S/C47H56O25/c1-20-36(63-24(5)51)39(65-26(7)53)42(69-34(56)14-12-29-11-13-31(57-10)32(17-29)62-23(4)50)45(61-20)70-37-30-15-16-58-44(35(30)47(43(37)72-47)19-60-22(3)49)71-46-41(67-28(9)55)40(66-27(8)54)38(64-25(6)52)33(68-46)18-59-21(2)48/h11-17,20,30,33,35-46H,18-19H2,1-10H3/b14-12+/t20-,30+,33+,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-,45-,46-,47+/m0/s1
InChI key: NMUSKRSRSZHJCB-VCSHERPXSA-N
SMILES: COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H]4O[C@]4(COC(=O)C)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)O[C@@H](C)[C@H](OC(=O)C)[C@H]2OC(=O)C)cc1OC(=O)C
Systematic name  (3):
  • (1aS)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-2α-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)-6α-[2-O-(3-アセチルオキシ-4-メトキシシンナモイル)-3-O,4-O-ジアセチル-6-デオキシ-α-L-マンノピラノシルオキシ]-1aβ-(アセトキシメチル)オキシレノ[4,5]シクロペンタ[1,2-c]ピラン
  • (2S,3R,4R,5S,6S)-4,5-ビス(アセチルオキシ)-2-{[(1S,2S,4S,5S,6R,10S)-2-[(アセチルオキシ)メチル]-10-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}-3,9-ジオキサトリシクロ[4.4.0.02,4]デカ-7-エン-5-イル]オキシ}-6-メチルオキサン-3-イル (2E)-3-[3-(アセチルオキシ)-4-メトキシフェニル]プロパ-2-エノアート
  • (2S,3R,4R,5S,6S)-4,5-bis(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-[(acetyloxy)methyl]-10-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy}-6-methyloxan-3-yl (2E)-3-[3-(acetyloxy)-4-methoxyphenyl]prop-2-enoate
Other name (1):
  • (1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-2α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-6α-[2-O-(3-acetyloxy-4-methoxycinnamoyl)-3-O,4-O-diacetyl-6-deoxy-α-L-mannopyranosyloxy]-1aβ-(acetoxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran
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