[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,9S,10S,13R,14S,17S)-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]-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-oxan-2-yl]methyl acetate
Molecular Formula:
C49H76O19
InChI: InChI=1/C49H76O19/c1-22-43(66-38-18-33(52)44(23(2)62-38)67-39-19-34(53)45(24(3)63-39)68-46-42(57)41(56)40(55)35(65-46)21-59-25(4)50)32(51)17-37(61-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)60-20-26/h15,22-24,27-35,37-46,51-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24-,27u,28+,29-,30+,31u,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+/m1/s1
InChIKey: InChIKey=HWSNYGLWLBCRSS-SCVJUUKPBP
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O
Names:
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,9S,10S,13R,14S,17S)-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]-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-oxan-2-yl]methyl acetate
Registries:
PubChem CID 10350955
PubChem ID 15362441
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|