| Name |
Calcigeroside D1 |
| Formula |
C54H84O31S2 |
| Mw |
1292.44379743 |
| CAS RN |
298693-51-3 |
| C_ID |
C00046638
, 
|
| InChIKey |
ZIAWCGXRNXJVDV-NRQAVVSPNA-N |
| InChICode |
InChI=1S/C54H84O31S2/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(65)79-25)80-48-43(34(59)28(18-74-48)85-87(69,70)71)84-49-44(83-46-36(61)35(60)32(57)26(16-55)77-46)37(62)40(21(3)76-49)81-47-39(64)42(33(58)27(78-47)19-75-86(66,67)68)82-45-38(63)41(72-8)24(56)17-73-45/h9,21-22,24-49,55-64H,1,10-19H2,2-8H3,(H,66,67,68)(H,69,70,71)/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]6OCC(OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[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(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. |
|
|
zoom in
| Organism | Pentamera calcigera |
|---|
| Reference | Avilov,J.Nat.Prod.,63,(2000),1349 |
|---|
|
