(2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-2-[[(2s,4ar,4bs,6as,11as,11br)-4a,6a,7-trimethyl-8-[3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1h-indeno[2,1-a]phenanthren-2-yl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Structural Information

Molecular Formula

C₅₂H₈₀O₂₀

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)CC7=C6C(=C(C=C7)CCC(C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O

InChI

InChI=1S/C52H80O20/c1-22(20-65-47-43(63)41(61)38(58)33(18-53)69-47)6-7-25-8-9-26-16-31-29-11-10-27-17-28(12-14-51(27,4)30(29)13-15-52(31,5)35(26)23(25)2)68-50-46(72-49-44(64)40(60)36(56)24(3)67-49)45(39(59)34(19-54)70-50)71-48-42(62)37(57)32(55)21-66-48/h8-10,22,24,28-34,36-50,53-64H,6-7,11-21H2,1-5H3/t22?,24-,28-,29+,30-,31-,32+,33+,34+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46+,47+,48-,49-,50+,51-,52-/m0/s1

InChIKey

JYOHIBZEEAHBAU-MIBYPNLYSA-N

Compound name

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[[(2S,4aR,4bS,6aS,11aS,11bR)-4a,6a,7-trimethyl-8-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Related CIDs

• CID 21674152