| Name |
Casuglaunin A |
| Formula |
C82H54O51 |
| Mw |
1854.16319746 |
| CAS RN |
229318-55-2 |
| C_ID |
C00029914
, 
|
| InChIKey |
WEOZNYSGUFZYKD-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H54O51/c83-20-1-12(2-21(84)45(20)92)73(114)126-29-10-124-74(115)13-3-22(85)46(93)53(100)31(13)33-15(5-24(87)48(95)55(33)102)77(118)128-67(29)71-69-41(40-42(81(122)130-69)38(60(107)65(112)62(40)109)35-17(79(120)132-71)7-26(89)50(97)57(35)104)37-19(9-28(91)52(99)59(37)106)76(117)127-30-11-125-75(116)14-4-23(86)47(94)54(101)32(14)34-16(6-25(88)49(96)56(34)103)78(119)129-68(30)72-70-64(111)44-43(82(123)131-70)39(61(108)66(113)63(44)110)36-18(80(121)133-72)8-27(90)51(98)58(36)105/h1-9,29-30,41,64,67-72,83-113H,10-11H2/t29-,30+,41+,64+,67-,68-,69-,70-,71-,72-/m0/s1 |
| SMILES |
c1(c(c(c(cc1C(=O)O[C@@H]1COC(=O)c2c(c3c(C(=O)O[C@@H]1[C@H]1[C@@H]4[C@@H](c5c(c(c6c(C(=O)O1)cc(c(c6O)O)O)c(c(c5O)O)O)C(=O)O4)O)cc(c(c3O)O)O)c(c(c(c2)O)O)O)O)O)O)[C@@H]1c2c3c(c4c(C(=O)O[C@H]([C@H]1OC3=O)[C@@H]1[C@H](COC(=O)c3c(c5c(C(=O)O1)cc(c(c5O)O)O)c(c(c(c3)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c4O)O)O)c(c(c2O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Cowania mexicana  | Ref. |
|
|
zoom in
|
