Spektraris NMR
ent-18-Acetoxy-6,11-dioxomanoyl oxide
Common Name: ent-18-Acetoxy-6,11-dioxomanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-7-20(4)11-15(24)18-21(5)10-8-9-19(3,13-26-14(2)23)17(21)16(25)12-22(18,6)27-20/h7,17-18H,1,8-13H2,2-6H3/t17-,18+,19-,20-,21-,22+/m1/s1
InChIKey: InChIKey=OZBWBETUGVJSFA-LYSZKAAZSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghoumari, H., Benajiba, M.H., Garcia-Granados, A., Fernandez, A., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (2006) 67, 2294-302
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) | 39.3 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 36 |
| 4 (C) | 35.8 |
| 5 (CH) | 60 |
| 6 (C) | 207.1 |
| 7 (CH2) | 59.3 |
| 8 (C) | 79.3 |
| 9 (CH) | 66.7 |
| 10 (C) | 40 |
| 11 (C) | 205.7 |
| 12 (CH2) | 50.4 |
| 13 (C) | 75.8 |
| 14 (CH) | 146.3 |
| 15 (CH2) | 112.6 |
| 16 (CH3) | 30.9 |
| 17 (CH3) | 28.7 |
| 18 (CH2) | 71.9 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 17.2 |
| 18a (C) | 171 |
| 18b (CH3) | 21 |
