[(3s,8s,9s,10r,13s,14s,16s,17r)-17-acetyl-3-[(2r,3r,4s,5s,6r)-5-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] (4r)-4-methyl-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate

Structural Information

Molecular Formula

C₅₇H₉₂O₂₇

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)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7CC=C6C5)C[C@@H]([C@@H]8C(=O)C)OC(=O)CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)CO)C)O)O)O

InChI

InChI=1S/C57H92O27/c1-21(20-74-51-43(69)41(67)38(64)32(18-58)80-51)8-11-34(61)79-31-17-30-28-10-9-26-16-27(12-14-56(26,6)29(28)13-15-57(30,7)35(31)22(2)60)78-55-50(84-53-45(71)40(66)37(63)24(4)76-53)47(73)49(33(19-59)81-55)83-54-46(72)42(68)48(25(5)77-54)82-52-44(70)39(65)36(62)23(3)75-52/h9,21,23-25,27-33,35-55,58-59,62-73H,8,10-20H2,1-7H3/t21-,23+,24+,25+,27+,28-,29+,30+,31+,32-,33-,35+,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51-,52+,53+,54+,55-,56+,57+/m1/s1

InChIKey

QSKFJIQOEAWAJW-DHOVLBHYSA-N

Compound name

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

Related CIDs

• CID 101352753