methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate

More details:

• Systematic name

  methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate

• SMILES

  O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]93[C@H](/C2=C/C[C@H]8[C@](C)([C@]2(C)CC3)CC[C@@H]7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](C(=O)OC)[C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@@H]4O)CO)[C@H](O)[C@H]6O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C7(C)C)CC(C)(C)CC9

• Std. InChi

  InChI=1S/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)32(59)26(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-41(75-45-37(64)34(61)31(58)25(20-55)70-45)39(66)40(42(76-47)43(67)69-8)74-44-36(63)33(60)27(22-57)71-44/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40-,41+,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1

• Std. InChIKey

  MPBZVIANUULHQT-MAEURMSRSA-N

• Cite this record

  CSID:8639326, http://www.chemspider.com/Chemical-Structure.8639326.html (accessed 21:45, May 4, 2024)