So1861

Structural Information

Molecular Formula

C₈₃H₁₃₀O₄₆

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H]([C@@]([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

InChI

InChI=1S/C83H130O46/c1-27-58(121-70-56(106)61(35(90)25-113-70)123-72-51(101)46(96)44(94)36(21-84)118-72)48(98)53(103)71(114-27)127-65-54(104)59(122-74-57(107)63(60(29(3)115-74)117-30(4)87)125-69-50(100)43(93)34(89)24-112-69)28(2)116-75(65)129-77(110)83-18-17-78(5,6)19-32(83)31-11-12-39-79(7)15-14-41(80(8,26-86)38(79)13-16-81(39,9)82(31,10)20-40(83)91)120-76-66(128-73-52(102)47(97)45(95)37(22-85)119-73)62(55(105)64(126-76)67(108)109)124-68-49(99)42(92)33(88)23-111-68/h11,26-29,32-66,68-76,84-85,88-107H,12-25H2,1-10H3,(H,108,109)/t27-,28+,29+,32-,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58-,59-,60+,61-,62-,63+,64-,65+,66+,68-,69-,70-,71-,72-,73-,74-,75-,76+,79-,80-,81+,82+,83+/m0/s1

InChIKey

QYMAGOFJXLKKJS-WRGWRGAISA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-5-acetyloxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Related CIDs

• CID 171318626