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[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-oxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-oxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate
Openeye Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydrofuran-3-yl] benzoate
CAS Name:	benzoic acid [(2S,3S,4R,5R)-2-[[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-1-oxo-3-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]prop-2-enoxy]-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-3-oxolanyl] ester
IUPAC Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Traditional Name:	benzoic acid [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acryloyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-5-methylol-tetrahydrofuran-3-yl] ester
Formula:	C₅₇H₇₀O₃₁
MolecularWeight:	1251.1471

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)OC3C(OC(C(C3OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6(C(C(C(O6)CO)O)OC(=O)C7=CC=CC=C7)COC(=O)C=CC8=CC=C(C=C8)O)COC(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=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)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)C7=CC=CC=C7)COC(=O)/C=C/C8=CC=C(C=C8)O)COC(=O)C)O)O)O

InChI

InChI=1S/C57H70O31/c1-25-38(65)42(69)45(72)53(78-25)79-31-16-10-28(11-17-31)13-19-37(64)83-48-35(23-76-26(2)61)82-56(50(85-55-47(74)44(71)40(67)33(21-59)81-55)49(48)84-54-46(73)43(70)39(66)32(20-58)80-54)88-57(24-77-36(63)18-12-27-8-14-30(62)15-9-27)51(41(68)34(22-60)87-57)86-52(75)29-6-4-3-5-7-29/h3-19,25,32-35,38-51,53-56,58-60,62,65-74H,20-24H2,1-2H3/b18-12+,19-13+/t25-,32+,33+,34+,35+,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49-,50+,51-,53-,54-,55-,56+,57-/m0/s1

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