Spektraris NMR
(1S,2R,5R,7S,11S,12S,13R,17S)-2-Hydroxy-2,7,11-trimethyl-16-methylene-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadecan-15-one
![(1S,2R,5R,7S,11S,12S,13R,17S)-2-Hydroxy-2,7,11-trimethyl-16-methylene-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadecan-15-one](/nmr/static/nmr/svg/17359.svg)
Common Name: (1S,2R,5R,7S,11S,12S,13R,17S)-2-Hydroxy-2,7,11-trimethyl-16-methylene-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadecan-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-11-6-5-8-20(4)14(25-20)7-9-19(3,22)15-10-13-12(2)18(21)24-17(13)16(11)23-15/h11,13-17,22H,2,5-10H2,1,3-4H3/t11-,13-,14+,15-,16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=LSAXPYWLQSDPDY-ZZALSVIUSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nieto, M.I., Gonzalez, N., Rodriguez, J., Kerr, R.G., Jimenez, C. Tetrahedron (2006) 62, 11747-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 37.9 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 79 |
| 4 (C) | 73.8 |
| 5 (CH2) | 37.5 |
| 6 (CH2) | 35.9 |
| 7 (CH) | 65.2 |
| 8 (C) | 61.1 |
| 9 (CH2) | 36.7 |
| 10 (CH2) | 20.2 |
| 11 (CH2) | 29.8 |
| 12 (CH) | 36.1 |
| 13 (CH) | 81.7 |
| 14 (CH) | 76.7 |
| 15 (C) | 136.9 |
| 16 (C) | 170.3 |
| 17 (CH2) | 121.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 23 |
| 20 (CH3) | 14.7 |
