| Name |
Saussureanoid |
| Formula |
C45H56O23 |
| Mw |
964.3212381 |
| CAS RN |
942039-77-2 |
| C_ID |
C00057668
|
| InChIKey |
PBHBQGSNOJXIOU-KKGLGEFHSA-N |
| InChICode |
InChI=1S/C45H56O23/c1-16-31(50)36(55)38(57)42(61-16)68-41-40(67-43-39(58)37(56)33(52)29(66-43)15-60-17(2)47)34(53)28(14-46)65-44(41)64-27-12-26-30(35(54)32(27)51)23(49)11-25(63-26)19-7-8-24(59-6)21(9-19)22-10-20(62-18(3)48)13-45(22,4)5/h7-12,16,20,28-29,31,33-34,36-44,46,50-58H,13-15H2,1-6H3/t16-,20-,28+,29+,31-,33+,34+,36+,37-,38+,39+,40-,41+,42-,43-,44+/m0/s1 |
| SMILES |
OC1=C(O)C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O4)[C@H](O)[C@@H](CO)O2)=CC5=C1C(C=C(C6=CC(C7=C[C@H](OC(C)=O)CC7(C)C)=C(OC)C=C6)O5)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Saussurea lappa  | Ref. |
|
|
zoom in
| Organism | Saussurea lappa |
|---|
| Reference | Rao, K.S. et al., Molecules, 2007, 12, 328-344 (isol, pmr, cmr) |
|---|
|
