Spektraris NMR
2b-Acetoxy-9-epi-ent-labda-8(17),13(E)-dien-15-al
Common Name: 2b-Acetoxy-9-epi-ent-labda-8(17),13(E)-dien-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-15(11-12-23)7-9-19-16(2)8-10-20-21(4,5)13-18(25-17(3)24)14-22(19,20)6/h11-12,18-20H,2,7-10,13-14H2,1,3-6H3/b15-11+/t18-,19+,20-,22+/m1/s1
InChIKey: InChIKey=SKIGLCYOFMFBDT-NCNYEIIISA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garbarino, J.A., Chamy, M.C., Piovano, M., Espinoza, L., Belmonte, E. Phytochemistry (2004) 65, 903-8
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) | 44 |
| 2 (CH) | 69.1 |
| 3 (CH2) | 46.6 |
| 4 (C) | 34.8 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 37.8 |
| 8 (C) | 146.9 |
| 9 (CH) | 56 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 39.3 |
| 13 (C) | 164.5 |
| 14 (CH) | 127.1 |
| 15 (CH) | 191.3 |
| 16 (CH3) | 17.6 |
| 17 (CH2) | 107.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 15.1 |
| 2b (C) | 170.6 |
| 2c (CH3) | 21.4 |
