Spektraris NMR
3a, 5a-Dihydroxychiliolide
Common Name: 3a, 5a-Dihydroxychiliolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-6-8-20(23)15(4-5-16(21)18(20,2)3)19(12)10-14(25-17(19)22)13-7-9-24-11-13/h7,9,11-12,14-16,21,23H,4-6,8,10H2,1-3H3/t12-,14+,15-,16-,19-,20+/m1/s1
InChIKey: InChIKey=CTJAWIDVJALCGZ-SMNGBEQOSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 25.1 |
| 2 (CH2) | 29.6 |
| 3 (CH) | 77.3 |
| 4 (C) | 41 |
| 5 (C) | 77.2 |
| 6 (CH2) | 31.6 |
| 7 (CH2) | 18.6 |
| 8 (CH) | 40.4 |
| 9 (C) | 53.6 |
| 10 (CH) | 45.9 |
| 11 (CH2) | 43 |
| 12 (CH) | 74.1 |
| 13 (C) | 124.1 |
| 14 (CH) | 108 |
| 15 (CH) | 144.2 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 24 |
| 19 (CH3) | 20.9 |
| 20 (C) | 181.7 |
