(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol

More details:

• Systematic name

  (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol

• SMILES

  O=C\1\C=C/[C@]2(/C(=C/1)[C@@H](C)C[C@@H]3[C@@H]2[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@H]34)C.O=C4c5c(O)cc(O)cc5O/C(c1ccc(O)c(O)c1)=C4/O[C@@H]3O[C@H](CO[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@@H](O)[C@H](O)[C@H]3O.Oc1ccc(cc1)\C=C\c2cc(O)cc(O)c2

• Std. InChi

  InChI=1S/C27H30O16.C22H30O5.C14H12O3/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3;1-9,15-17H/b;;2-1+/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;12-,14-,15-,17-,19+,20-,21-,22-;/m00./s1

• Std. InChIKey

  QFSGXMYSCZVLNU-WJLJHZHCSA-N

• Cite this record

  CSID:9962823, http://www.chemspider.com/Chemical-Structure.9962823.html (accessed 08:57, May 29, 2024)