[(3s,8r,9s,10r,11s,12s,13s,14s,17s)-17-acetyl-11-acetyloxy-3-[(2r,4r,5r)-5-[(2s,4r,5r)-5-[(2s,4r,5s)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,4s,5s)-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-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate

Structural Information

Molecular Formula

C₅₆H₈₂O₂₄

SMILES

CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC=C3C2)[C@]5(CC[C@@H]([C@]5([C@@H]([C@H]4OC(=O)C)OC(=O)C6=CC=CC=C6)C)C(=O)C)O)C)OC)O[C@H]7C([C@H]([C@@H](C(O7)C)O[C@H]8C([C@H]([C@@H](C(O8)CO)O[C@H]9C([C@H]([C@@H](C(O9)CO)O)O)O)O)O)OC)O

InChI

InChI=1S/C56H82O24/c1-24(59)31-17-19-56(68)32-15-14-29-20-30(16-18-54(29,5)37(32)47(73-27(4)60)49(55(31,56)6)80-50(67)28-12-10-9-11-13-28)74-36-21-33(69-7)44(25(2)71-36)77-53-43(66)48(70-8)45(26(3)72-53)78-52-42(65)40(63)46(35(23-58)76-52)79-51-41(64)39(62)38(61)34(22-57)75-51/h9-14,25-26,30-49,51-53,57-58,61-66,68H,15-23H2,1-8H3/t25?,26?,30-,31+,32+,33+,34?,35?,36-,37+,38+,39-,40+,41?,42?,43?,44+,45+,46+,47-,48+,49+,51-,52-,53-,54-,55-,56-/m0/s1

InChIKey

QECLORIAMBMVOV-IJHALNBFSA-N

Compound name

[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2R,4R,5R)-5-[(2S,4R,5R)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-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-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate

Related CIDs

• CID 129909389