| Name |
Simplexin |
| Formula |
C30H44O8 |
| Mw |
532.30361838 |
| CAS RN |
1404-62-2 |
| C_ID |
C00003482
, 
|
| InChIKey |
JAQJQYMDHBSCKO-ROZFTIHPNA-N |
| InChICode |
InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| SMILES |
[C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@@H]4[C@@]51[C@@H](C[C@]1([C@@H]4O[C@@](O1)(O5)CCCCCCCCC)C(=C)C)C)O3)CO)O)(C(=O)C(=C2)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Thymelaeaceae | Pimelea simplex | Ref. |
| Plantae | Thymelaeaceae | Pimelea simplex. | Ref. |
| Plantae | Thymelaeaceae | Stellera chamaejasme L.  | Ref. |
| Plantae | Thymelaeaceae | Wikstroemia monticola | Ref. |
|
|
zoom in
| Organism | Wikstroemia monticola |
|---|
| Reference | Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).
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).
Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7
1995, Vol8
1996, Vol9
1997, Vol10
1998, Vol11 |
|---|
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