[(3s,5s,8s,9s,10s,11s,12s,13s,14r,17s)-17-acetyl-12-acetyloxy-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-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₄₇H₇₄O₂₀

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)C)C)C(=O)C)O)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)OC)O)O)O)OC)O)O)C

InChI

InChI=1S/C47H74O20/c1-11-20(2)40(55)64-37-38-44(7)15-13-26(18-25(44)12-16-46(38,56)47(57)17-14-27(21(3)48)45(47,8)39(37)62-24(6)49)63-29-19-28(50)34(22(4)60-29)65-43-33(54)36(58-9)35(23(5)61-43)66-42-32(53)30(51)31(52)41(59-10)67-42/h11,22-23,25-39,41-43,50-54,56-57H,12-19H2,1-10H3/b20-11+/t22-,23-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45+,46+,47-/m1/s1

InChIKey

PIHGZZNXMQCZTO-QEGILGJCSA-N

Compound name

[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-12-acetyloxy-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-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 134816445