[acetyl-[(2r,4r,5s,6r)-4-hydroxy-5-[(2s,3r,4s,5r,6r)-3-hydroxy-4-methoxy-6-methyl-5-[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-dimethyl-[(e)-2-methylbut-2-enoyl]oxy-[?]yl] benzoate

Structural Information

Molecular Formula

C₅₂H₇₄O₁₉

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@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)OC)O)O)O)OC)O)O)C

InChI

InChI=1S/C52H74O19/c1-10-24(2)44(59)66-41-42-49(6)19-17-30(22-29(49)16-20-51(42)52(71-51)21-18-31(25(3)53)50(52,7)43(41)69-45(60)28-14-12-11-13-15-28)65-33-23-32(54)38(26(4)63-33)67-48-37(58)40(61-8)39(27(5)64-48)68-47-36(57)34(55)35(56)46(62-9)70-47/h10-15,26-27,29-43,46-48,54-58H,16-23H2,1-9H3/b24-10+/t26-,27-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,46+,47-,48+,49+,50+,51+,52-/m1/s1

InChIKey

MBZRSTHMKCVFJJ-PZSKPVKMSA-N

Compound name

[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-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 134816277