(2r,3r,4s,5s,6r)-2-[[(3r,5s,6s,7r,9r,10r,13r,16r,17r)-7-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(1r)-1-hydroxy-2-methoxyethyl]oxolan-2-yl]oxy-3,6-dihydroxy-10,13-dimethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol

Structural Information

Molecular Formula

C₄₂H₇₀O₁₄

SMILES

C[C@H](CCC(=C)C(C)C)[C@H]1[C@@H](CC2=C3[C@H](CC[C@]12C)[C@]4(CC[C@H](C[C@@H]4[C@@H]([C@@H]3O[C@H]5[C@@H]([C@H]([C@@H](O5)[C@@H](COC)O)O)O)O)O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)OC)O

InChI

InChI=1S/C42H70O14/c1-19(2)20(3)9-10-21(4)30-27(53-40-35(50)38(52-8)32(47)28(17-43)54-40)16-24-29-23(12-14-42(24,30)6)41(5)13-11-22(44)15-25(41)31(46)37(29)56-39-34(49)33(48)36(55-39)26(45)18-51-7/h19,21-23,25-28,30-40,43-50H,3,9-18H2,1-2,4-8H3/t21-,22-,23+,25-,26-,27-,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42+/m1/s1

InChIKey

CCLAURIXRDODOX-IAOMLZBXSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[[(3R,5S,6S,7R,9R,10R,13R,16R,17R)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-2-yl]oxy-3,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol

Related CIDs

• CID 163107786