[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-13-[(2R,3S,4S,5S,6R)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-icosa-2,6,10-trienoate

More details:

• Systematic name

  [(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-13-[(2R,3S,4S,5S,6R)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-icosa-2,6,10-trienoate

• SMILES

  O=C(OC[C@@H](O)[C@H](O)[C@H](O)CO)\C(=C\[C@H](C)[C@H](O)C(=C\[C@H](C)[C@H](O)C(=C\[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)COC(=O)C)[C@@H](C)C[C@@H](C)C[C@@H](C)CC)C)\C)\C)C

• Std. InChi

  InChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21-,22-,23-,26-,27-,28-,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,42-/m0/s1

• Std. InChIKey

  NCIXLNTUPVOTSJ-UTVSEKIBSA-N

• Cite this record

  CSID:8685050, http://www.chemspider.com/Chemical-Structure.8685050.html (accessed 07:07, Jul 24, 2024)