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

Structural Information

Molecular Formula

C₅₂H₇₄O₂₀

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](CC3=CC[C@]2([C@]4(CC[C@@H]([C@]4([C@@H]1OC(=O)C5=CC=CC=C5)C)C(=O)C)O)O)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)OC)O)O)O)OC)O)O)C

InChI

InChI=1S/C52H74O20/c1-10-24(2)44(59)68-41-42-49(6)19-17-30(22-29(49)16-20-51(42,61)52(62)21-18-31(25(3)53)50(52,7)43(41)71-45(60)28-14-12-11-13-15-28)67-33-23-32(54)38(26(4)65-33)69-48-37(58)40(63-8)39(27(5)66-48)70-47-36(57)34(55)35(56)46(64-9)72-47/h10-16,26-27,30-43,46-48,54-58,61-62H,17-23H2,1-9H3/b24-10+/t26-,27-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,46+,47-,48+,49+,50+,51+,52-/m1/s1

InChIKey

XCIJLEPHRJGOBX-MVIYBHEISA-N

Compound name

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

Related CIDs

• CID 134816313