| Name |
Neotigogenin |
| Formula |
C27H44O3 |
| Mw |
416.32904527 |
| CAS RN |
470-01-9 |
| C_ID |
C00057400
|
| InChIKey |
GMBQZIIUCVWOCD-PUHUBZITSA-N |
| InChICode |
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 |
| SMILES |
C[C@H](CO1)CC[C@@]12[C@H]([C@@]3([H])[C@](O2)([H])C[C@@]4([H])[C@]([C@]5([H])CC[C@@]43C)([H])CC[C@@]6([H])C[C@@H](O)CC[C@@]65C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Lycopersicon pimpinellifolium  | Ref. |
|
|
zoom in
| Organism | Lycopersicon pimpinellifolium |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 3, 564A (nmr) |
|---|
|
