[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6a-formyl-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

More details:

• Systematic name

  [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6a-formyl-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-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=O)CC3)CC[C@@H]7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)C7(C)C)[C@@H](C)[C@H](C)CC9

• Std. InChi

  InChI=1S/C54H86O23/c1-22-10-15-53(49(69)77-46-42(68)38(64)34(60)26(18-55)71-46)16-17-54(21-58)25(32(53)23(22)2)8-9-30-51(6)13-12-31(50(4,5)29(51)11-14-52(30,54)7)74-47-43(39(65)35(61)27(19-56)72-47)76-48-44(40(66)36(62)28(20-57)73-48)75-45-41(67)37(63)33(59)24(3)70-45/h8,21-24,26-48,55-57,59-68H,9-20H2,1-7H3/t22-,23+,24+,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,51+,52-,53+,54+/m1/s1

• Std. InChIKey

  BAXBFUUEZUGXNE-PNJNMQOHSA-N

• Cite this record

  CSID:8526670, http://www.chemspider.com/Chemical-Structure.8526670.html (accessed 09:42, Jun 16, 2024)