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

Structural Information

Molecular Formula

C₄₇H₇₄O₁₉

SMILES

C/C=C(\C)/C(=O)O[C@@H]1[C@H]([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([C@]1([C@H](CC7)C(=O)C)C)O)OC(=O)C

InChI

InChI=1S/C47H74O19/c1-11-20(2)41(55)65-40-38(61-24(6)49)31-28(47(56)17-15-27(21(3)48)46(40,47)8)13-12-25-18-26(14-16-45(25,31)7)62-30-19-29(50)36(22(4)59-30)63-44-35(54)39(57-9)37(23(5)60-44)64-43-34(53)32(51)33(52)42(58-10)66-43/h11,22-23,25-40,42-44,50-54,56H,12-19H2,1-10H3/b20-11+/t22-,23-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,42+,43-,44+,45+,46+,47+/m1/s1

InChIKey

NROMKVCTHJKHJM-ZBVOUJDQSA-N

Compound name

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

Related CIDs

• CID 134816149