Spektraris NMR
19-Acetoxymanoyl oxide
Common Name: 19-Acetoxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-7-20(4)13-9-18-21(5)12-8-11-19(3,15-24-16(2)23)17(21)10-14-22(18,6)25-20/h7,17-18H,1,8-15H2,2-6H3/t17-,18+,19+,20-,21-,22+/m0/s1
InChIKey: InChIKey=LSRSKJHMVBWLFI-REGVOWLASA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stierle, D.B., Stierle, A.A., Larsen, R.D. Phytochemistry (1988) 27, 517-22
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) | 38.9 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 36.4 |
| 4 (C) | 36.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 43.5 |
| 8 (C) | 74.8 |
| 9 (CH) | 57 |
| 10 (C) | 36.9 |
| 11 (CH2) | 15.4 |
| 12 (CH2) | 35.5 |
| 13 (C) | 73.2 |
| 14 (CH) | 148 |
| 15 (CH2) | 110.3 |
| 16 (CH3) | 28.6 |
| 17 (CH3) | 25.3 |
| 18 (CH3) | 27.3 |
| 19 (CH2) | 67 |
| 20 (CH3) | 15.7 |
| 19a (C) | 171.3 |
| 19b (CH3) | 20.8 |
