| Name |
Calcigeroside C2 |
| Formula |
C59H94O29S |
| Mw |
1298.56014778 |
| CAS RN |
253678-31-8 |
| C_ID |
C00046637
, 
|
| InChIKey |
VGRJDWODEBTTOQ-KXDKVTAINA-N |
| InChICode |
InChI=1S/C59H94O29S/c1-24(2)18-26(62)19-58(8)34-13-16-57(7)28-10-11-33-55(4,5)35(14-15-56(33,6)27(28)12-17-59(34,57)54(72)87-58)82-52-47(38(66)32(23-78-52)88-89(73,74)75)86-53-48(85-50-40(68)39(67)36(64)30(20-60)80-50)41(69)44(25(3)79-53)83-51-43(71)46(37(65)31(21-61)81-51)84-49-42(70)45(76-9)29(63)22-77-49/h10,24-25,27,29-53,60-61,63-71H,11-23H2,1-9H3,(H,73,74,75)/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+,56-,57+,58+,59+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)OS(=O)(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@]23[C@@]1(C)CC[C@@H]2[C@](OC3=O)(C)CC(=O)CC(C)C)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Pentamera calcigera | Ref. |
|
|
zoom in
|
