Spektraris NMR
17-Acetoxy-13(R)-hydroxy-7,14-labddiene
Common Name: 17-Acetoxy-13(R)-hydroxy-7,14-labddiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-7-21(5,24)14-11-18-17(15-25-16(2)23)9-10-19-20(3,4)12-8-13-22(18,19)6/h7,9,18-19,24H,1,8,10-15H2,2-6H3/t18-,19-,21-,22+/m0/s1
InChIKey: InChIKey=HUCKGXAJNDDTLW-BLKABHOGSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 129.2 |
| 8 (C) | 134.3 |
| 9 (CH) | 52.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 44 |
| 13 (C) | 73.4 |
| 14 (CH) | 145.2 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 27.7 |
| 17 (CH2) | 67.8 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.7 |
| 17a (C) | 170.9 |
| 17b (CH3) | 21.1 |
