| Name |
Calcigeroside C1 |
| Formula |
C54H84O28S |
| Mw |
1212.48698283 |
| CAS RN |
253678-33-0 |
| C_ID |
C00046636
, 
|
| InChIKey |
CSPFWRNFXOPZJE-PLGDMBHENA-N |
| InChICode |
InChI=1S/C54H84O28S/c1-20(2)31-25-15-53(7)23-9-10-29-51(4,5)30(12-13-52(29,6)22(23)11-14-54(31,53)50(66)76-25)77-48-43(34(60)28(19-72-48)82-83(67,68)69)81-49-44(80-46-36(62)35(61)32(58)26(16-55)74-46)37(63)40(21(3)73-49)78-47-39(65)42(33(59)27(17-56)75-47)79-45-38(64)41(70-8)24(57)18-71-45/h9,21-22,24-49,55-65H,1,10-19H2,2-8H3,(H,67,68,69)/t21-,22-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,52-,53+,54-/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[C@@H]([C@@H]2C(=C)C)OC3=O)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
| Organism | Pentamera calcigera |
|---|
| Reference | Avilov,J.Nat.Prod.,63,(2000),65 |
|---|
|
