Spektraris NMR
3a -Hydroxy -5b,10b-epoxychiliolide
Common Name: 3a -Hydroxy -5b,10b-epoxychiliolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-4-7-19-17(2,3)15(21)5-8-20(19,25-19)18(12)10-14(24-16(18)22)13-6-9-23-11-13/h6,9,11-12,14-15,21H,4-5,7-8,10H2,1-3H3/t12-,14+,15-,18+,19+,20+/m1/s1
InChIKey: InChIKey=NNPGERSFOITVNY-TYVOUBDXSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Banerjee, S., Bohlmann, F., King, R.M., Robinson, H. Tetrahedron (1986) 42, 1305-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Chettaphananes; 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 (CH2) | 25.8 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 71.9 |
| 4 (C) | 39.4 |
| 5 (C) | 66.5 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 35.1 |
| 9 (C) | 54.1 |
| 10 (C) | 73.9 |
| 11 (CH2) | 38.4 |
| 12 (CH) | 71.1 |
| 13 (C) | 125.9 |
| 14 (CH) | 108.5 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 18.9 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 18.8 |
| 20 (C) | 178.5 |
