Tamarixinin b

Structural Information

Molecular Formula

C₈₂H₅₆O₅₂

SMILES

C1[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)OC5=C(C(=C(C=C5C(=O)O[C@@H]6[C@H]([C@H]7[C@@H](COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O[C@H]6OC(=O)C2=CC(=C(C(=C2)O)OC2=C(C(=C(C=C2C(=O)O3)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C82H56O52/c83-27-1-17(2-28(84)47(27)97)71(111)129-67-65-41(15-121-75(115)21-9-31(87)49(99)55(105)43(21)45-23(77(117)127-65)11-33(89)51(101)57(45)107)123-81-69(67)131-79(119)25-13-35(91)53(103)59(109)61(25)125-63-39(95)7-20(8-40(63)96)74(114)134-82-70(132-80(120)26-14-36(92)54(104)60(110)62(26)126-64-37(93)5-19(6-38(64)94)73(113)133-81)68(130-72(112)18-3-29(85)48(98)30(86)4-18)66-42(124-82)16-122-76(116)22-10-32(88)50(100)56(106)44(22)46-24(78(118)128-66)12-34(90)52(102)58(46)108/h1-14,41-42,65-70,81-110H,15-16H2/t41-,42-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1

InChIKey

YPSRDTZNKOFIAJ-QHNYOMBNSA-N

Compound name

[(11R,12S,13R,31R,33S,49R,50S,51R,69R,71S)-4,5,6,18,19,20,23,24,25,38,42,43,44,56,57,58,61,62,63,76,77,79-docosahydroxy-9,15,28,35,47,53,66,73-octaoxo-50-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22,24,26,36,38,41,43,45,54,56,58,60,62,64,74,77,79-tetracosaen-12-yl] 3,4,5-trihydroxybenzoate

Related CIDs

• CID 16131652