(1S,3R,5S,6S,7S,8R,10S,13S,14S,15R,17S,18R,19S,20S,21R,24S,25R,26R,27R,30R,31R,34S,35S,39S)-6,7,13,14,18,19,20,25-Octahydroxy-31,35-dimethyl-30-[(2R)-6-methyl-4-oxo-2-heptanyl]-2,4,9,11,16,23,40,41-oc taoxanonacyclo[22.13.2.1^17,21.1^26,34.0^3,8.0^10,15.0^26,34.0^27,31.0^35,39]hentetracontane-5-carboxylic acid

More details:

• Systematic name

  (1S,3R,5S,6S,7S,8R,10S,13S,14S,15R,17S,18R,19S,20S,21R,24S,25R,26R,27R,30R,31R,34S,35S,39S)-6,7,13,14,18,19,20,25-Octahydroxy-31,35-dimethyl-30-[(2R)-6-methyl-4-oxo-2-heptanyl]-2,4,9,11,16,23,40,41-oc taoxanonacyclo[22.13.2.1~17,21~.1~26,34~.0~3,8~.0~10,15~.0~26,34~.0~27,31~.0~35,39~]hentetracontane-5-carboxylic acid

• SMILES

  C[C@H](CC(=O)CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]34[C@]2(O3)[C@@H]([C@@H]5[C@@H]6[C@@]4(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO5)O)O)O)C)O)C

• Std. InChi

  InChI=1S/C44H68O19/c1-17(2)12-19(45)13-18(3)21-6-7-25-41(21,4)10-11-43-42(5)9-8-20-14-22(42)32(36(53)44(25,43)63-43)56-16-24-27(48)28(49)31(52)38(59-24)61-34-26(47)23(46)15-57-39(34)62-35-30(51)29(50)33(37(54)55)60-40(35)58-20/h17-18,20-36,38-40,46-53H,6-16H2,1-5H3,(H,54,55)/t18-,20+,21-,22-,23+,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,38+,39+,40-,41-,42+,43+,44-/m1/s1

• Std. InChIKey

  KRADYUBTFTXBGY-VTRVMMSFSA-N

• Cite this record

  CSID:35517084, http://www.chemspider.com/Chemical-Structure.35517084.html (accessed 20:39, Jun 15, 2024)