Spektraris NMR
3a-Hydroxy-ent-labda- 8(17), 12E, 14-trien- 18-oi
Common Name: 3a-Hydroxy-ent-labda- 8(17), 12E, 14-trien- 18-oi
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-6-14(2)7-9-16-15(3)8-10-17-19(16,4)12-11-18(22)20(17,5)13-21/h6-7,16-18,21-22H,1,3,8-13H2,2,4-5H3/b14-7+/t16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=QKSJAAYFFAZIIF-AAXRDDCQSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 37 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 80.5 |
| 4 (C) | 42.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 38 |
| 8 (C) | 147.3 |
| 9 (CH) | 56.8 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 133.3 |
| 13 (C) | 133.5 |
| 14 (CH) | 141.5 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 11.8 |
| 17 (CH2) | 108.1 |
| 18 (CH2) | 64.2 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 15.2 |
