Spektraris NMR
12,18-Diacetoxy-13,14,15,16-tetranorlabdane-8-ol
Common Name: 12,18-Diacetoxy-13,14,15,16-tetranorlabdane-8-ol
Synonyms: 12,18-Diacetoxy-13,14,15,16-tetranorlabdane-8-ol
CAS Registry Number:
InChI: InChI=1S/C20H34O5/c1-14(21)24-12-8-17-19(4)10-6-9-18(3,13-25-15(2)22)16(19)7-11-20(17,5)23/h16-17,23H,6-13H2,1-5H3/t16-,17+,18-,19-,20+/m0/s1
InChIKey: InChIKey=IWHWNCSAXPFCMY-LJDSDSDDSA-N
Formula: C20H34O5
Molecular Weight: 354.481728
Exact Mass: 354.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hegazy, M.E.F., Ohta, S., Abdel-latif, F.F., Albadry, H.A., Ohta, E., Pare, P.W., Hirata, T. J Nat Prod (2008) 71, 1070-3
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 (CH2) | 17.5 |
| 3 (CH2) | 35.6 |
| 4 (C) | 36.5 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 43.9 |
| 8 (C) | 73.2 |
| 9 (CH) | 57.9 |
| 10 (C) | 38.6 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 66.4 |
| 17 (CH3) | 24 |
| 18 (CH2) | 72.5 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.6 |
| 12a (C) | 170.7 |
| 12b (CH3) | 20.94 |
| 18a (C) | 170.7 |
| 18b (CH3) | 21.06 |
