Spektraris NMR
20-acetoxy-4β,5β-epoxy-14α-hydroxy-13-epi-neohomoverrucos-15(17)-en-16,12β-olide
Common Name: 20-acetoxy-4β,5β-epoxy-14α-hydroxy-13-epi-neohomoverrucos-15(17)-en-16,12β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-12-17-14(27-18(12)24)9-21(11-26-13(2)23)8-7-19(3)10-16-20(4,28-16)6-5-15(19)22(17,21)25/h14-17,25H,1,5-11H2,2-4H3/t14-,15-,16+,17-,19-,20-,21-,22+/m0/s1
InChIKey: InChIKey=GHORKUXYCUMHJH-VSJHGJQYSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Toyota, M., Nakaishi, E., Asakawa, Y. Phytochemistry (1996) 43, 1057-64
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 49.6 |
| 2 (CH2) | 29.7 |
| 3 (CH2) | 35.9 |
| 4 (C) | 59.6 |
| 5 (CH) | 60.5 |
| 6 (CH2) | 46.1 |
| 7 (C) | 49.3 |
| 8 (CH2) | 36 |
| 9 (CH2) | 23.3 |
| 10 (C) | 37.8 |
| 11 (CH2) | 38.3 |
| 12 (CH) | 81.6 |
| 13 (CH) | 52.8 |
| 14 (C) | 88.7 |
| 15 (C) | 134.5 |
| 16 (C) | 170.4 |
| 17 (CH2) | 123.6 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 21.7 |
| 20 (CH2) | 63.7 |
| 20a (C) | 170.5 |
| 20b (CH3) | 20.8 |
