Spektraris NMR
(13R,14R)-Labda-7-ene-3beta,13,14,15-tetraol
Common Name: (13R,14R)-Labda-7-ene-3beta,13,14,15-tetraol
Synonyms: (13R,14R)-Labda-7-ene-3beta,13,14,15-tetraol
CAS Registry Number:
InChI: InChI=1S/C20H36O4/c1-13-6-7-15-18(2,3)16(22)9-10-19(15,4)14(13)8-11-20(5,24)17(23)12-21/h6,14-17,21-24H,7-12H2,1-5H3/t14-,15-,16-,17+,19+,20+/m0/s1
InChIKey: InChIKey=HNYFLJOSDHAKBV-FKAIMOKRSA-N
Formula: C20H36O4
Molecular Weight: 340.498205
Exact Mass: 340.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Haridy, M.S., Ahmed, A.A., Doe, M. Phytochemistry (2006) 67, 1455-9
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 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.8 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 20.9 |
| 7 (CH) | 122.1 |
| 8 (C) | 134.8 |
| 9 (CH) | 55.1 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 42 |
| 13 (C) | 74.9 |
| 14 (CH) | 74.8 |
| 15 (CH2) | 63.8 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 13.6 |
