Ns00126798

Structural Information

Molecular Formula

C₉₂H₁₄₈O₄₆

SMILES

CCC(C)C(CC(CC(=O)OC(CC(CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)O)OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(CC[C@@H]([C@@]([C@@H]9CC[C@]8([C@@]7(C[C@H]6O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)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(C)CC)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O

InChI

InChI=1S/C92H148O46/c1-13-36(3)45(126-54(101)25-41(98)24-46(37(4)14-2)127-80-64(111)58(105)48(30-94)128-80)23-40(97)26-55(102)132-70-39(6)125-82(73(67(70)114)136-79-66(113)61(108)69(38(5)124-79)133-78-63(110)59(106)49(32-122-78)130-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)100)131-83-74(137-81-65(112)60(107)57(104)47(29-93)129-81)71(68(115)72(135-83)76(117)118)134-77-62(109)56(103)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-100,103-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)/t36?,37?,38-,39+,40?,41?,43-,44+,45?,46?,47+,48-,49+,50+,51+,52+,53-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-,71-,72-,73+,74+,75-,77-,78-,79-,80+,81+,82-,83+,84-,87-,88-,89+,90+,91+,92+/m0/s1

InChIKey

XYVMMKXMQBIPIQ-JOMHPNDBSA-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)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[5-[5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]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-[(2R,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 60866