[(3s,5s,8r,9s,10s,11s,12s,13s,14s,17s)-17-acetyl-14-hydroxy-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-12-[(e)-2-methylbut-2-enoyl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₅₀H₇₈O₁₉

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](CC[C@@H]3[C@@]2(CC[C@@H](C3)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)OC)O)O)O)OC)O)O)C)[C@]7(CC[C@@H]([C@]7([C@@H]1OC(=O)/C(=C/C)/C)C)C(=O)C)O

InChI

InChI=1S/C50H78O19/c1-12-22(3)43(57)65-40-33-30(50(59)19-17-29(24(5)51)49(50,9)42(40)68-44(58)23(4)13-2)15-14-27-20-28(16-18-48(27,33)8)64-32-21-31(52)38(25(6)62-32)66-47-37(56)41(60-10)39(26(7)63-47)67-46-36(55)34(53)35(54)45(61-11)69-46/h12-13,25-42,45-47,52-56,59H,14-21H2,1-11H3/b22-12+,23-13+/t25-,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42-,45+,46-,47+,48+,49+,50+/m1/s1

InChIKey

TWCQQWUWZKPYQS-HNCJHWGVSA-N

Compound name

[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-14-hydroxy-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-12-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 134816444