Spektraris NMR
16-Acetoxy-12(R),15-epoxy-15b-hydroxylabda-8(17),13(16)-diene
Common Name: 16-Acetoxy-12(R),15-epoxy-15b-hydroxylabda-8(17),13(16)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14-7-8-19-21(3,4)9-6-10-22(19,5)17(14)12-18-16(11-20(24)26-18)13-25-15(2)23/h13,17-20,24H,1,6-12H2,2-5H3/b16-13+/t17-,18+,19-,20-,22+/m0/s1
InChIKey: InChIKey=IOSDVPGBKLNUBH-KOJKXEOZSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tane, P., Akam, M.T., Tsopmo, A., Ndi, C.P., Sterner, O. Phytochemistry (2004) 65, 3083-7
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) | 39.1 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.3 |
| 9 (CH) | 52.6 |
| 10 (C) | 39.6 |
| 11 (CH2) | 30.4 |
| 12 (CH) | 77.3 |
| 13 (C) | 125.3 |
| 14 (CH2) | 35.7 |
| 15 (CH) | 97 |
| 16 (CH) | 128.6 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 33.5 |
| 20 (CH3) | 14.4 |
| 16a (C) | 167.9 |
| 16b (CH3) | 20.7 |
