Spektraris NMR
ent-2alpha-Acetoxylabda-8(20),12Z,14-trien-3beta-ol
Common Name: ent-2alpha-Acetoxylabda-8(20),12Z,14-trien-3beta-ol
Synonyms: ent-2alpha-Acetoxylabda-8(20),12Z,14-trien-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(24)18(25-16(4)23)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9-/t17-,18+,19-,20-,22+/m1/s1
InChIKey: InChIKey=NEEBXCYCZYWRJT-KPCHNIOPSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6
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) | 42.31 |
| 2 (CH) | 73.26 |
| 3 (CH) | 80.56 |
| 4 (C) | 39.88 |
| 5 (CH) | 54.43 |
| 6 (CH2) | 23.56 |
| 7 (CH2) | 37.69 |
| 8 (C) | 146.89 |
| 9 (CH) | 56.88 |
| 10 (C) | 40.22 |
| 11 (CH2) | 22.33 |
| 12 (CH) | 130.79 |
| 13 (C) | 131.97 |
| 14 (CH) | 133.77 |
| 15 (CH2) | 113.48 |
| 16 (CH3) | 19.65 |
| 17 (CH2) | 108.97 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 16.49 |
| 20 (CH3) | 15.21 |
| 2a (C) | 171.62 |
| 2b (CH3) | 21.36 |
