| Name |
Rotundic acid |
| Formula |
C30H48O5 |
| Mw |
488.35017464 |
| CAS RN |
20137-37-5 |
| C_ID |
C00031198
, 
|
| InChIKey |
YLHQFGOOMKJFLP-MYKXQPGHNA-N |
| InChICode |
InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1 |
| SMILES |
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex asprella | Ref. |
| Plantae | Aquifoliaceae | Ilex chinensis  | Ref. |
| Plantae | Aquifoliaceae | Ilex integra | Ref. |
| Plantae | Aquifoliaceae | Ilex rotunda | Ref. |
| Plantae | Oleaceae | Olea europaea | Ref. |
|
|
zoom in
| Organism | Ilex asprella |
|---|
| Reference | Wen, Q. et al., Bioorg. Med. Chem. Lett., 27, (2017), 880-886. |
|---|
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