| Name |
Isoceanothic acid |
| Formula |
C30H46O5 |
| Mw |
486.33452458 |
| CAS RN |
2739-72-2 |
| C_ID |
C00050884
|
| InChIKey |
TZMHGYFMSOZSLB-JQVHDYKCNA-N |
| InChICode |
InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22-,23+,27+,28+,29-,30-/m0/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(OC=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](OC=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Zizyphus xylopyrus  | Ref. |
|
|
zoom in
| Organism | Zizyphus xylopyrus |
|---|
| Reference | Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999) |
|---|
|
