(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-9,10-dihydroxy-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]-5-[(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-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-9,10-dihydroxy-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]-5-[(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-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid

• SMILES

  O=C(O)[C@H]8O[C@@H](O[C@H]4CC[C@]3(C)[C@H]5C/C=C2/[C@@H]1C[C@](C)(CO)[C@@H](O)[C@@H](O)[C@]1(C)CC[C@@]2(C)[C@]5(C)CC[C@H]3[C@@]4(C)CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)[C@@H](O)[C@@H]8O

• Std. InChi

  InChI=1S/C48H78O20/c1-20-27(52)29(54)33(58)40(63-20)67-35-30(55)28(53)23(17-49)64-41(35)68-36-32(57)31(56)34(39(61)62)66-42(36)65-26-11-12-45(4)24(46(26,5)19-51)10-13-48(7)25(45)9-8-21-22-16-43(2,18-50)37(59)38(60)44(22,3)14-15-47(21,48)6/h8,20,22-38,40-42,49-60H,9-19H2,1-7H3,(H,61,62)/t20-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,43+,44+,45-,46+,47+,48+/m0/s1

• Std. InChIKey

  OCIVJMXBKNHHJK-YOXXVPDASA-N

• Cite this record

  CSID:8781335, http://www.chemspider.com/Chemical-Structure.8781335.html (accessed 07:04, Apr 25, 2024)