| Name |
Calcigeroside E |
| Formula |
C62H98O35S2 |
| Mw |
1466.53300637 |
| CAS RN |
298693-71-7 |
| C_ID |
C00046640
, 
|
| InChIKey |
GFFKBEXCBZMANC-DVOFBEGMNA-N |
| InChICode |
InChI=1S/C62H98O35S2/c1-25-45(92-53-44(74)47(37(67)31(22-64)89-53)93-52-43(73)46(83-10)38(68)32(90-52)24-85-98(77,78)79)42(72)49(94-51-41(71)40(70)36(66)30(21-63)88-51)55(86-25)95-48-39(69)33(97-99(80,81)82)23-84-54(48)91-35-15-18-59(7)27-14-19-62-50(61(9,96-56(62)75)17-11-16-57(3,4)76)29(87-26(2)65)20-60(62,8)28(27)12-13-34(59)58(35,5)6/h11-12,16,25,27,29-55,63-64,66-74,76H,13-15,17-24H2,1-10H3,(H,77,78,79)(H,80,81,82)/b16-11+/t25-,27-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52+,53+,54+,55+,59-,60+,61+,62-/m1/s1 |
| SMILES |
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)C(O)[C@H](O)[C@H]4O)[C@H](O[C@H]4[C@H](OC5CC[C@]6(C)[C@@H]7CC[C@]89C(=O)O[C@@](C)(C/C=C/C(C)(C)O)[C@H]8[C@@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OCC(OS(=O)(=O)O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Pentamera calcigera | Ref. |
|
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