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

Structural Information

Molecular Formula

C₅₆H₈₈O₃₀

SMILES

C[C@@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC(=O)[C@@]2([C@H]1C(=O)C)C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H](C([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

InChI

InChI=1S/C56H88O30/c1-20(18-76-50-44(73)40(69)37(66)29(14-57)80-50)5-8-34(64)79-28-12-26-24-7-6-22-11-23(9-10-55(22,3)25(24)13-33(63)56(26,4)35(28)21(2)61)78-52-46(75)42(71)47(32(17-60)83-52)84-54-49(86-53-45(74)41(70)38(67)30(15-58)81-53)48(39(68)31(16-59)82-54)85-51-43(72)36(65)27(62)19-77-51/h6,20,23-32,35-54,57-60,62,65-75H,5,7-19H2,1-4H3/t20-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,35-,36?,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,55-,56+/m0/s1

InChIKey

XYRBIRWUGQTPKM-UEQJPRGZSA-N

Compound name

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

Related CIDs

• CID 129907570