Trillfurostanoside c

Structural Information

Molecular Formula

C₅₇H₉₄O₂₈

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]7C[C@H]([C@]6(C5)O)O)CC(=O)[C@@H]8[C@H](C)C(=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/C57H94O28/c1-20(19-76-50-42(70)40(68)37(65)31(17-58)81-50)8-9-29(60)21(2)34-30(61)15-28-26-14-33(62)57(75)16-25(10-13-56(57,7)27(26)11-12-55(28,34)6)80-54-49(85-52-44(72)39(67)36(64)23(4)78-52)46(74)48(32(18-59)82-54)84-53-45(73)41(69)47(24(5)79-53)83-51-43(71)38(66)35(63)22(3)77-51/h20-28,31-54,58-59,62-75H,8-19H2,1-7H3/t20-,21-,22+,23+,24+,25+,26-,27+,28+,31-,32-,33-,34+,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

VHSPXOOZJFAPHJ-OVUKXJHCSA-N

Compound name

(3S,5R,6R,8S,9S,10R,13S,14S,17R)-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-5,6-dihydroxy-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 171121272