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

More details:

• Systematic name

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

• SMILES

  O=C(OC)[C@H]9O[C@@H](O[C@H]6CC[C@@]5(C)C(CC[C@]4(C)[C@@H]5C/C=C3/[C@@H]2CC(C)(C)C[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CC[C@]34C)[C@@]6(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@@H]9O

• Std. InChi

  InChI=1S/C54H88O22/c1-23-32(58)35(61)40(66)46(70-23)75-42-36(62)34(60)27(20-55)71-47(42)76-43-38(64)37(63)41(44(67)68-9)74-48(43)72-30-13-14-51(5)28(52(30,6)22-56)12-15-54(8)29(51)11-10-24-25-18-49(2,3)19-31(50(25,4)16-17-53(24,54)7)73-45-39(65)33(59)26(57)21-69-45/h10,23,25-43,45-48,55-66H,11-22H2,1-9H3/t23-,25-,26+,27+,28?,29+,30-,31+,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,45-,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1

• Std. InChIKey

  GCZNUYNTCQHAFC-GVTHJFEPSA-N

• Cite this record

  CSID:8255380, http://www.chemspider.com/Chemical-Structure.8255380.html (accessed 23:46, Apr 28, 2024)