Spektraris NMR
3a-Acetoxy-ent-labda-8(17),12E,14-trien-19-ol
Common Name: 3a-Acetoxy-ent-labda-8(17),12E,14-trien-19-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-7-15(2)8-10-18-16(3)9-11-19-21(18,5)13-12-20(25-17(4)24)22(19,6)14-23/h7-8,18-20,23H,1,3,9-14H2,2,4-6H3/b15-8+/t18-,19+,20-,21+,22+/m1/s1
InChIKey: InChIKey=VIEYELGGWFALEF-OLSYMJIUSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Zapp, J., Becker, H. Phytochemistry (1995) 39, 859-68
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) | 36.9 |
| 2 (CH2) | 24 |
| 3 (CH) | 82.7 |
| 4 (C) | 42.6 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.1 |
| 9 (CH) | 56.6 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 133.2 |
| 13 (C) | 133.5 |
| 14 (CH) | 141.4 |
| 15 (CH2) | 110.1 |
| 16 (CH3) | 11.8 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 22.4 |
| 19 (CH2) | 63.6 |
| 20 (CH3) | 15 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.3 |
