Trillfurostanoside d

Structural Information

Molecular Formula

C₅₁H₈₄O₂₄

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O[C@H]4CC[C@@]5([C@H]6CC[C@]7([C@H]([C@@H]6C[C@H]([C@]5(C4)O)O)CC(=O)[C@@H]7[C@H](C)C(=O)CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)CO)O)O)O

InChI

InChI=1S/C51H84O24/c1-19(18-68-45-39(63)38(62)35(59)29(16-52)72-45)7-8-27(54)20(2)32-28(55)14-26-24-13-31(56)51(67)15-23(9-12-50(51,6)25(24)10-11-49(26,32)5)71-48-44(75-47-41(65)37(61)34(58)22(4)70-47)42(66)43(30(17-53)73-48)74-46-40(64)36(60)33(57)21(3)69-46/h19-26,29-48,52-53,56-67H,7-18H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50-,51+/m1/s1

InChIKey

IWJRJSUHDOUYFJ-HCJOXWQFSA-N

Compound name

(3S,5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-10,13-dimethyl-17-[(2S,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,4,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

Related CIDs

• CID 171121273