| Name |
Hemoiedemoside A |
| Formula |
C54H84O28S2 |
| Mw |
1244.45905356 |
| CAS RN |
443791-82-0 |
| C_ID |
C00046002
, 
|
| InChIKey |
JFKXDTQOMCLKJZ-LDOHSKKPNA-N |
| InChICode |
InChI=1S/C54H84O28S2/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(64)81-53)77-48-43(35(59)30(21-72-48)82-84(68,69)70)80-45-37(61)36(60)40(24(3)74-45)78-47-39(63)42(34(58)29(76-47)22-73-83(65,66)67)79-46-38(62)41(71-9)33(57)28(20-55)75-46/h14,24,26,28-48,55,57-63H,1,10-13,15-22H2,2-9H3,(H,65,66,67)(H,68,69,70)/t24-,26-,28-,29-,30-,31-,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,51-,52+,53+,54-/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@H](O)[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[C@@H]1C2=CC[C@@]23[C@]1(CC(=O)[C@@H]2[C@](OC3=O)(C)CCCC(=C)C)C)C)O)COS(=O)(=O)O)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Hemoiedema spectabilis | Ref. |
|
|
zoom in
| Organism | Hemoiedema spectabilis |
|---|
| Reference | Chludil,J.Nat.Prod.,65,(2002),860 |
|---|
|
