| Name |
3-Oxo-12,18-ursadien-28-oic acid |
| Formula |
C30H44O3 |
| Mw |
452.32904527 |
| CAS RN |
273223-69-1 |
| C_ID |
C00057316
|
| InChIKey |
SHLWEZVZPAYIHX-CQNUAUMPSA-N |
| InChICode |
InChI=1S/C30H44O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-22H,9-17H2,1-7H3,(H,32,33)/t18-,21+,22-,27+,28-,29-,30+/m1/s1 |
| SMILES |
O=C1C(C)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(O)=O)CC[C@@H](C)C(C)=C5C4=CC[C@]3([H])[C@@]2(C)CC1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Pyrus communis  | Ref. |
|
|
zoom in
| Organism | Pyrus communis |
|---|
| Reference | Barton, D.H.R. et al., JCS, 1962, 5163-5175 (Vanguerolic acid) |
|---|
|
