Lanatoside e

Structural Information

Molecular Formula

C₅₀H₇₆O₂₁

SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O

InChI

InChI=1S/C50H76O21/c1-22-44(69-38-16-32(55)45(23(2)64-38)70-39-17-33(66-25(4)53)46(24(3)65-39)71-47-43(59)42(58)41(57)35(19-51)68-47)31(54)15-37(63-22)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(56)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,54-55,57-60H,7-12,14-20H2,1-6H3/t22-,23-,24-,27-,28+,29+,30-,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50+/m1/s1

InChIKey

YMKWEJBJAVBYHU-SBTGRVASSA-N

Compound name

[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

Related CIDs

• CID 15560068