N-[(6S)-6-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxo-heptyl]acetamide

More details:

• Systematic name

  N-[(6S)-6-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxo-heptyl]acetamide

• SMILES

  O=C(NCC(C)CCC(=O)[C@@H](C)[C@H]7[C@H](O)C[C@@H]6[C@]7(C)CC[C@H]5[C@H]6CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O)C4)C

• Std. InChi

  InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20?,21-,22+,24+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+/m1/s1

• Std. InChIKey

  MTFMWINXJJVOSD-FMAWDGSQSA-N

• Cite this record

  CSID:8757003, http://www.chemspider.com/Chemical-Structure.8757003.html (accessed 15:30, Apr 23, 2024)