[(3s,8r,9s,10r,11s,12s,13s,14s,17s)-17-acetyl-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-12-[(e)-2-methylbut-2-enoyl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₅₇H₈₈O₂₄

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](CC=C3[C@@]2(CC[C@@H](C3)O[C@H]4C[C@H]([C@@H](C(O4)C)O[C@H]5C([C@H]([C@@H](C(O5)C)O[C@H]6C([C@H]([C@@H](C(O6)CO)O[C@H]7C([C@H]([C@@H](C(O7)CO)O)O)O)O)O)OC)O)OC)C)[C@]8(CC[C@@H]([C@]8([C@@H]1OC(=O)/C(=C/C)/C)C)C(=O)C)O

InChI

InChI=1S/C57H88O24/c1-12-24(3)50(67)77-47-37-32(57(69)19-17-31(26(5)60)56(57,9)49(47)81-51(68)25(4)13-2)15-14-29-20-30(16-18-55(29,37)8)74-36-21-33(70-10)44(27(6)72-36)78-54-43(66)48(71-11)45(28(7)73-54)79-53-42(65)40(63)46(35(23-59)76-53)80-52-41(64)39(62)38(61)34(22-58)75-52/h12-14,27-28,30-49,52-54,58-59,61-66,69H,15-23H2,1-11H3/b24-12+,25-13+/t27?,28?,30-,31+,32+,33+,34?,35?,36-,37+,38+,39-,40+,41?,42?,43?,44+,45+,46+,47-,48+,49+,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

IXWYXCXUXPQACG-ZZKBGWDUSA-N

Compound name

[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-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-12-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 129909421