Spektraris NMR
3R,14R,15-trihydroxy-3-oxolabd-8(17)-ene
Common Name: 3R,14R,15-trihydroxy-3-oxolabd-8(17)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/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/h14-15,17,21,23-24H,1,6-12H2,2-5H3/t14-,15-,17+,19+,20+/m0/s1
InChIKey: InChIKey=HJEKXLRWHIPFOH-JGKKSEDXSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: C5D5N
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) | 37.6 |
| 2 (CH2) | 34.9 |
| 3 (C) | 215.6 |
| 4 (C) | 47.7 |
| 5 (CH) | 55 |
| 6 (CH2) | 25.2 |
| 7 (CH2) | 38 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.7 |
| 10 (C) | 39.6 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 38.1 |
| 13 (C) | 74.3 |
| 14 (CH) | 78.3 |
| 15 (CH2) | 64 |
| 16 (CH3) | 23.7 |
| 17 (CH2) | 108.1 |
| 18 (CH3) | 26.1 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14 |
