Jalap resin

Structural Information

Molecular Formula

C₁₄₄H₂₃₂O₅₂

SMILES

CCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@H]3O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]4[C@H](O[C@H]([C@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H](O[C@H]([C@@H]5OC(=O)CCCCCCCCCCC)O[C@H]6[C@H](O[C@@H]7[C@@H]([C@@H]6O)OC(=O)CCCCCCCCCC(O[C@H]8[C@H](O7)[C@@H]([C@H]([C@H](O8)C)O)O)CCCCC)C)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@H](O9)C)OC(=O)[C@@H](C)CC)O)OC(=O)/C=C/C1=CC=CC=C1)CO)C)O)O)C)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)OC(=O)[C@@H](C)CC)OC(=O)/C=C/C1=CC=CC=C1)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C144H232O52/c1-17-23-27-29-31-33-39-45-61-73-99(149)185-131-129(195-136-111(161)106(156)105(155)95(79-145)179-136)121(191-138-116(166)124(120(88(14)172-138)188-134(168)82(8)22-6)182-101(151)77-75-91-63-53-49-54-64-91)89(15)175-143(131)189-117-85(11)171-135(112(162)109(117)159)193-125-107(157)103(153)83(9)169-139(125)177-93(67-51-25-19-3)69-57-43-37-35-41-47-59-71-97(147)181-123-96(80-146)180-137(113(163)110(123)160)196-130-122(192-141-127(184-102(152)78-76-92-65-55-50-56-66-92)114(164)118(86(12)173-141)187-133(167)81(7)21-5)90(16)176-144(132(130)186-100(150)74-62-46-40-34-32-30-28-24-18-2)190-119-87(13)174-142-128(115(119)165)183-98(148)72-60-48-42-36-38-44-58-70-94(68-52-26-20-4)178-140-126(194-142)108(158)104(154)84(10)170-140/h49-50,53-56,63-66,75-78,81-90,93-96,103-132,135-146,153-166H,17-48,51-52,57-62,67-74,79-80H2,1-16H3/b77-75+,78-76+/t81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,93-,94?,95+,96+,103-,104-,105-,106-,107+,108+,109-,110+,111-,112+,113-,114+,115+,116+,117-,118-,119-,120-,121+,122+,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1

InChIKey

FQYZTZXSIFWAPT-LSNGAHAASA-N

Compound name

[(2R,3R,4R,5S,6S)-6-[(2R,3R,4R,5R,6S)-5-dodecanoyloxy-3-[(2S,3R,4R,5R,6R)-4-hydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxy-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5R,6R,7R,8R,22R,24R,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (11S)-11-[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-dodecanoyloxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-4-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate

Related CIDs

• CID 131750175