Chemical Compound

(2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-5-{[(2E)-3-(3-methoxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-5-(hydroxymethyl)oxolan-3-yl benzoate

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(2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-5-{[(2E)-3-(3-methoxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-5-(hydroxymethyl)oxolan-3-yl benzoate 结构式
Primary record

(2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-5-{[(2E)-3-(3-methoxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-5-(hydroxymethyl)oxolan-3-yl benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
11073296
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)/C=C/C(=O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@]7([C@H]([C@@H]([C@H](O7)CO)O)OC(=O)C8=CC=CC=C8)COC(=O)/C=C/C9=CC(=C(C=C9)O)OC)COC(=O)C)OC)O)O)O
Canonical SMILES
COc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(=O)/C=C/c4ccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c(OC)c4)[C@H](O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)ccc1O

名称与同义词

  • Dalmaisiose K
  • QTQTWOLEYZGYSQ-QLSGOHFRSA-
  • CID11073296
  • CID 11073296
  • J1.712.324F
  • (2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-5-{[(2E)-3-(3-methoxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-5-(hydroxymethyl)oxolan-3-yl benzoate
  • 1-O-(3-Methoxy-4-hydroxy-trans-cinnamoyl)-3-O-benzoyl-beta-D-fructofuranosyl 2-O-beta-D-glucopyranosyl-3-O-[6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-4-O-[3-methoxy-4-(alpha-L-rhamnopyranosyloxy)-trans-cinnamoyl]-6-O-acetyl-alpha-D-glucopyranoside
  • InChI=1/C68H80O35/c1-31-49(77)53(81)56(84)64(93-31)94-39-20-13-35(25-41(39)89-4)16-23-48(76)98-59-45(29-90-32(2)71)97-67(103-68(30-92-47(75)22-15-34-12-19-38(73)40(24-34)88-3)62(52(80)43(27-70)102-68)101-63(87)36-8-6-5-7-9-36)61(100-65-57(85)54(82)50(78)4