Spektraris NMR
ent-3a-Acetoxylabda-8(17),12Z,14-trien-2α-ol
Common Name: ent-3a-Acetoxylabda-8(17),12Z,14-trien-2α-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(25-16(4)23)18(24)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=LKMOGVWLLWEGRV-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., Rodriguez, B. J Nat Prod (2004) 67, 614-21
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) | 46.3 |
| 2 (CH) | 67.9 |
| 3 (CH) | 84.5 |
| 4 (C) | 39.3 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 37.6 |
| 8 (C) | 146.9 |
| 9 (CH) | 56.9 |
| 10 (C) | 40.1 |
| 11 (CH2) | 22.3 |
| 12 (CH) | 130.7 |
| 13 (C) | 132 |
| 14 (CH) | 133.7 |
| 15 (CH2) | 113.6 |
| 16 (CH3) | 19.7 |
| 17 (CH2) | 108.9 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 15.4 |
| 3a (C) | 172.5 |
| 3b (CH3) | 21.2 |
