Neomogroside

More details:

• Systematic name

  (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S,6R)-2-[(1R,4R)-4-[(3S,8S,9R,10R,11R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-(1-hydroxy-1-methyl-ethyl)pentoxy]-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

• SMILES

  C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C

• Std. InChi

  InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)97-55-25(22-89-56-50(84)44(78)39(73)29(18-67)91-56)38(72)49(83)60(99-55)100-59-53(87)47(81)42(76)32(21-70)94-59)26-15-16-64(6)34-12-10-27-28(66(34,8)35(71)17-65(26,64)7)11-14-36(62(27,2)3)96-61-54(98-58-52(86)46(80)41(75)31(20-69)93-58)48(82)43(77)33(95-61)23-90-57-51(85)45(79)40(74)30(19-68)92-57/h10,24-26,28-61,67-88H,9,11-23H2,1-8H3/t24-,25-,26-,28-,29-,30-,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-,58+,59+,60-,61+,64+,65-,66+/m1/s1

• Std. InChIKey

  KLARCXPUZABXOZ-SRMPMRICSA-N

• Cite this record

  CSID:24721801, http://www.chemspider.com/Chemical-Structure.24721801.html (accessed 00:09, Apr 29, 2024)