| Name |
Hurghadolide A |
| Formula |
C76H130O20 |
| Mw |
1362.91554659 |
| CAS RN |
877822-91-8 |
| C_ID |
C00041594
, 
|
| InChIKey |
PBOKTYWXRURPFG-TZIRZOFWNA-N |
| InChICode |
InChI=1S/C76H130O20/c1-43-23-28-55(77)35-57-19-17-21-59(93-57)39-70(90-16)50(8)66(80)42-68(82)52(10)75(54(12)73(85)45(3)27-31-62-38-64(88-14)34-48(6)92-62)96-76(86)46(4)25-29-56(78)36-58-20-18-22-60(94-58)40-69(89-15)49(7)65(79)41-67(81)51(9)74(95-71(83)32-24-43)53(11)72(84)44(2)26-30-61-37-63(87-13)33-47(5)91-61/h17-20,23-25,32,44-45,47-70,72-75,77-82,84-85H,21-22,26-31,33-42H2,1-16H3/b32-24+,43-23+,46-25-/t44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65?,66-,67+,68+,69-,70-,72-,73-,74+,75-/m0/s1 |
| SMILES |
[C@H]1([C@H](OC(=O)/C(=C\C[C@@H](C[C@@H]2C=CC[C@H](O2)C[C@@H]([C@H]([C@H](C[C@@H](O)[C@@H]([C@@H](OC(=O)/C=C/C(=C/C[C@@H](C[C@H]2O[C@H](C[C@@H]([C@H]([C@H](C[C@H]1O)O)C)OC)CC=C2)O)/C)[C@H]([C@@H](O)[C@@H](C)CC[C@H]1C[C@@H](C[C@@H](O1)C)OC)C)C)O)C)OC)O)/C)[C@H]([C@H]([C@H](CC[C@@H]1O[C@H](C[C@H](C1)OC)C)C)O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Yousset,J.Nat.Prod.,69,(2006),154 |
|---|
|
