Spektraris NMR
3a-Hydroxy-5,6-dehydrochiliolide
Common Name: 3a-Hydroxy-5,6-dehydrochiliolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h5,8-9,11-12,15-17,21H,4,6-7,10H2,1-3H3/t12-,15+,16+,17-,20-/m1/s1
InChIKey: InChIKey=WVRDZXWBGHINPN-QLKOVTILSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
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) | 23 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 75.9 |
| 4 (C) | 41.4 |
| 5 (C) | 139.4 |
| 6 (CH) | 121.5 |
| 7 (CH2) | 31.5 |
| 8 (CH) | 34.7 |
| 9 (C) | 51 |
| 10 (CH) | 42.6 |
| 11 (CH2) | 42.8 |
| 12 (CH) | 71 |
| 13 (C) | 126.3 |
| 14 (CH) | 108.8 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 25.7 |
| 20 (C) | 176.6 |
