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

Structural Information

Molecular Formula

C₅₄H₇₂O₂₀

SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4[C@@H]([C@H]([C@@]5([C@H](CC[C@@]5([C@@]4(CC=C3C2)O)O)C(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C)O)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)OC)O)O)O)OC)O

InChI

InChI=1S/C54H72O20/c1-26(55)33-20-23-54(64)52(33,5)45(73-47(62)30-16-12-9-13-17-30)43(70-46(61)29-14-10-8-11-15-29)44-51(4)21-19-32(24-31(51)18-22-53(44,54)63)69-35-25-34(56)40(27(2)67-35)71-50-39(60)42(65-6)41(28(3)68-50)72-49-38(59)36(57)37(58)48(66-7)74-49/h8-18,27-28,32-45,48-50,56-60,63-64H,19-25H2,1-7H3/t27-,28-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,48+,49-,50+,51+,52+,53+,54-/m1/s1

InChIKey

NTSNGQBVJHLWHU-LBEUGBSLSA-N

Compound name

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

Related CIDs

• CID 134816523