[(E)-2-[(2Z,7E)-dodeca-2,7-dienoyl]oxy-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-prop-2-enyl] (E)-pentadec-7-enoate

Systemtic Name: [(E)-2-[(2Z,7E)-dodeca-2,7-dienoyl]oxy-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-prop-2-enyl] (E)-pentadec-7-enoate Openeye Name: [(E)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2Z,7E)-dodeca-2,7-dienoyl]oxy-allyl] (E)-pentadec-7-enoate CAS Name: (E)-7-pentadecenoic acid [(E)-3-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[(2Z,7E)-1-oxododeca-2,7-dienoxy]prop-2-enyl] ester IUPAC Name: [(E)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2Z,7E)-dodeca-2,7-dienoyl]oxyprop-2-enyl] (E)-pentadec-7-enoate Traditional Name: (E)-pentadec-7-enoic acid [(E)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methylol-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2Z,7E)-dodeca-2,7-dienoyl]oxy-allyl] ester Formula: C42H70O15 MolecularWeight: 814.9962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCC(=O)OCC(=COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)OC(=O)C=CCCCC=CCCCC

Isomeric SMILES

CCCCCCC/C=C/CCCCCC(=O)OC/C(=C\O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)/OC(=O)/C=C\CCC/C=C/CCCC

InChI

InChI=1S/C42H70O15/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-33(45)52-28-30(54-34(46)25-23-21-19-16-12-10-8-6-4-2)29-53-41-39(51)40(36(48)32(27-44)55-41)57-42-38(50)37(49)35(47)31(26-43)56-42/h10,12,14-15,23,25,29,31-32,35-44,47-51H,3-9,11,13,16-22,24,26-28H2,1-2H3/b12-10+,15-14+,25-23-,30-29+/t31-,32-,35-,36+,37+,38-,39-,40+,41-,42+/m1/s1