[(1s,3r,6s,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-[(2r,4r)-5-[(2s,4r)-5-[(2s,4r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,4s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-9-[(e)-2-methylbut-2-enoyl]oxy-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] benzoate

Structural Information

Molecular Formula

C₅₉H₈₆O₂₄

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@@H]([C@]5([C@@H]1OC(=O)C6=CC=CC=C6)C)C(=O)C)O[C@H]7C[C@H](C(C(O7)C)O[C@H]8C([C@H](C(C(O8)C)O[C@H]9C([C@H](C(C(O9)CO)O[C@H]1C([C@H](C(C(O1)CO)O)O)O)O)O)OC)O)OC)C

InChI

InChI=1S/C59H86O24/c1-10-26(2)51(69)78-48-49-56(6)19-17-32(22-31(56)16-20-58(49)59(83-58)21-18-33(27(3)62)57(59,7)50(48)82-52(70)30-14-12-11-13-15-30)75-37-23-34(71-8)44(28(4)73-37)79-55-43(68)47(72-9)45(29(5)74-55)80-54-42(67)40(65)46(36(25-61)77-54)81-53-41(66)39(64)38(63)35(24-60)76-53/h10-15,28-29,31-50,53-55,60-61,63-68H,16-25H2,1-9H3/b26-10+/t28?,29?,31-,32-,33+,34+,35?,36?,37-,38?,39-,40+,41?,42?,43?,44?,45?,46?,47+,48-,49+,50+,53-,54-,55-,56-,57-,58-,59+/m0/s1

InChIKey

PXPRNCXVTSTUDY-GXYMUEMYSA-N

Compound name

[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R)-5-[(2S,4R)-5-[(2S,4R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] benzoate

Related CIDs

• CID 129908675