(2α,3α,5β,8α,9β,10α,14β,17α,18α)-3-{[4-O-(β-L-Glucopyranosyl)-β-L-xylopyranosyl]oxy}-2,24-dihydroxy-29-methoxy-29-oxoolean-12-en-28-oic acid

More details:

• Systematic name

  (2alpha,3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-{[4-O-(beta-L-Glucopyranosyl)-beta-L-xylopyranosyl]oxy}-2,24-dihydroxy-29-methoxy-29-oxoolean-12-en-28-oic acid

• SMILES

  COC(=O)[C@@]1(C)C[C@@H]2C3=CC[C@@H]4[C@](C)(CC[C@@H]5[C@@](C)(CO)[C@H](O[C@H]6OC[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@H](O)C[C@@]45C)[C@@]3(C)CC[C@@]2(CC1)C(O)=O

• Std. InChi

  InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m1/s1

• Std. InChIKey

  ZMXKPCHQLHYTHY-WFUAAZEGSA-N

• Cite this record

  CSID:82964576, http://www.chemspider.com/Chemical-Structure.82964576.html (accessed 17:01, May 13, 2024)