[(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-12-[(e)-2-methylbut-2-enoyl]oxy-2,3,4,7,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₅₀H₇₆O₂₀

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)/C(=C/C)/C)C)C(=O)C)O)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)OC)O)O)O)OC)O)O)C

InChI

InChI=1S/C50H76O20/c1-12-22(3)42(57)66-39-40-47(8)17-15-28(20-27(47)14-18-49(40,59)50(60)19-16-29(24(5)51)48(50,9)41(39)69-43(58)23(4)13-2)65-31-21-30(52)36(25(6)63-31)67-46-35(56)38(61-10)37(26(7)64-46)68-45-34(55)32(53)33(54)44(62-11)70-45/h12-14,25-26,28-41,44-46,52-56,59-60H,15-21H2,1-11H3/b22-12+,23-13+/t25-,26-,28+,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,44+,45-,46+,47+,48+,49+,50-/m1/s1

InChIKey

PRODPEQXRLFUBR-ZCVYCPFXSA-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-12-[(E)-2-methylbut-2-enoyl]oxy-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 134816333