(3Z,5Z,7S,8S,11Z,13E,15S,16S)-8-{(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-penta nyl}-16-{(2S,3R,4S)-4-[(2R,4S,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-7,15-dimethyl-1,9-d ioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (non-preferred name)

More details:

• Systematic name

  (3Z,5Z,7S,8S,11Z,13E,15S,16S)-8-{(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-penta nyl}-16-{(2S,3R,4S)-4-[(2R,4S,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-7,15-dimethyl-1,9-d ioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (non-preferred name)

• SMILES

  C[C@H]1C=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](CC)[C@@H](C)O2)[C@@H](C)C=CC=CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1 |c:4,40,42,t:2|

• Std. InChi

  InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15-,20-16+,21-18-,22-17-/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1

• Std. InChIKey

  OSERMIPXNLXAPD-ICOMFJBFSA-N

• Cite this record

  CSID:114813894, http://www.chemspider.com/Chemical-Structure.114813894.html (accessed 00:00, May 29, 2024)