(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-10-[(2S,3R,4R,5R,6S)-3,5-diacetoxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-10-[(2S,3R,4R,5R,6S)-3,5-diacetoxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

• SMILES

  O=C(O[C@@H]8[C@H](O)[C@@H](OC(=O)C)[C@@H](O[C@H]8O[C@@H]3[C@@](C)(CO)C[C@H]2/C1=C/C[C@H]7[C@](C)([C@]1(C)CC[C@@]2(C)[C@@H]3O)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@]6(C)CO)C)C

• Std. InChi

  InChI=1S/C51H80O21/c1-22-36(67-23(2)54)35(61)39(68-24(3)55)44(66-22)72-41-40(62)47(5)16-17-50(8)25(26(47)18-46(41,4)20-52)10-11-29-48(6)14-13-30(49(7,21-53)28(48)12-15-51(29,50)9)69-45-38(33(59)32(58)37(70-45)42(63)64)71-43-34(60)31(57)27(56)19-65-43/h10,22,26-41,43-45,52-53,56-62H,11-21H2,1-9H3,(H,63,64)/t22-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,43-,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1

• Std. InChIKey

  NNKZZSCQIGHSDP-QAXWQFECSA-N

• Cite this record

  CSID:8685655, http://www.chemspider.com/Chemical-Structure.8685655.html (accessed 14:03, Apr 25, 2024)