Spektraris NMR
20-acetoxy-4β,5β-epoxy-13α-hydroxy-13-epi-neohomoverrucos-15(17)-en-16,12β-olide
Common Name: 20-acetoxy-4β,5β-epoxy-13α-hydroxy-13-epi-neohomoverrucos-15(17)-en-16,12β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-12-18(24)27-16-10-21(11-26-13(2)23)8-7-19(3)9-15-20(4,28-15)6-5-14(19)17(21)22(12,16)25/h14-17,25H,1,5-11H2,2-4H3/t14-,15-,16+,17-,19+,20+,21+,22-/m1/s1
InChIKey: InChIKey=KWBZKVWIQLLGFY-BYOSRVBTSA-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) | 47 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 35.5 |
| 4 (C) | 60.3 |
| 5 (CH) | 60.6 |
| 6 (CH2) | 44.4 |
| 7 (C) | 37.9 |
| 8 (CH2) | 36.9 |
| 9 (CH2) | 30.1 |
| 10 (C) | 44.6 |
| 11 (CH2) | 39.5 |
| 12 (CH) | 82.9 |
| 13 (C) | 91.3 |
| 14 (CH) | 56.8 |
| 15 (C) | 139.5 |
| 16 (C) | 170.1 |
| 17 (CH2) | 128.9 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 17.1 |
| 20 (CH2) | 62.7 |
| 20a (C) | 170.8 |
| 20b (CH3) | 20.8 |
