[(3s,5s,8s,9s,10s,11s,12s,13s,14r,17s)-17-acetyl-3-[(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-8,14-dihydroxy-10,13-dimethyl-12-[(e)-2-methylbut-2-enoyl]oxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-11-yl] benzoate

Structural Information

Molecular Formula

C₅₉H₈₈O₂₅

SMILES

C/C=C(\C)/C(=O)O[C@@H]1[C@H]([C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@]2([C@@]4([C@]1([C@H](CC4)C(=O)C)C)O)O)O[C@H]5C[C@H](C(C(O5)C)O[C@H]6C([C@H](C(C(O6)C)O[C@H]7C([C@H](C(C(O7)CO)O[C@H]8C([C@H](C(C(O8)CO)O)O)O)O)O)OC)O)OC)C)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C59H88O25/c1-10-26(2)51(69)84-50-48(80-52(70)30-14-12-11-13-15-30)49-56(6)19-17-32(22-31(56)16-20-58(49,71)59(72)21-18-33(27(3)62)57(50,59)7)77-37-23-34(73-8)44(28(4)75-37)81-55-43(68)47(74-9)45(29(5)76-55)82-54-42(67)40(65)46(36(25-61)79-54)83-53-41(66)39(64)38(63)35(24-60)78-53/h10-15,28-29,31-50,53-55,60-61,63-68,71-72H,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

SEKNYNJKVBJLGN-GXYMUEMYSA-N

Compound name

[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(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-8,14-dihydroxy-10,13-dimethyl-12-[(E)-2-methylbut-2-enoyl]oxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] benzoate

Related CIDs

• CID 129909136