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

Structural Information

Molecular Formula

C₅₃H₇₈O₂₀

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@]2([C@]4(CC[C@@H]([C@]4([C@@H]1OC(=O)C5=CC=CC=C5)C)C(=O)C)O)O)O[C@H]6C[C@H]([C@@H](C(O6)C)O[C@H]7C([C@H]([C@@H](C(O7)C)O[C@H]8C([C@H]([C@@H](C(O8)CO)O)O)O)OC)O)OC)C

InChI

InChI=1S/C53H78O20/c1-10-25(2)46(60)70-43-44-50(6)19-17-31(22-30(50)16-20-52(44,62)53(63)21-18-32(26(3)55)51(53,7)45(43)73-47(61)29-14-12-11-13-15-29)68-35-23-33(64-8)40(27(4)66-35)71-49-39(59)42(65-9)41(28(5)67-49)72-48-38(58)37(57)36(56)34(24-54)69-48/h10-15,27-28,30-45,48-49,54,56-59,62-63H,16-24H2,1-9H3/b25-10+/t27?,28?,30-,31-,32+,33+,34?,35-,36+,37-,38?,39?,40+,41+,42+,43-,44+,45+,48-,49-,50-,51-,52-,53+/m0/s1

InChIKey

LYXFQOJYEFMBHH-XPZPIHKBSA-N

Compound name

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

Related CIDs

• CID 129909137