| 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=C(C)C1[C@@H]2C[C@@]3(C)C4=CC[C@H]5C(C)(C)C(O[C@@H]6OC[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@H]4CC[C@]13C(=O)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Pentamera calcigera | Ref. |
|
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