Spektraris NMR
(5beta,8S,9alpha,10alpha,13R)-8,13-Epoxy-16-hydroxylabda-14-ene-3-one
Common Name: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxy-16-hydroxylabda-14-ene-3-one
Synonyms: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxy-16-hydroxylabda-14-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-6-20(13-21)12-8-15-18(4)10-9-16(22)17(2,3)14(18)7-11-19(15,5)23-20/h6,14-15,21H,1,7-13H2,2-5H3/t14-,15+,18-,19+,20+/m1/s1
InChIKey: InChIKey=VGHBPRLIBBSXGG-LEEVSCAKSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L. Phytochemistry (2000) 55, 891-901
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) | 38.1 |
| 2 (CH2) | 33.7 |
| 3 (C) | 217 |
| 4 (C) | 47.2 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 42 |
| 8 (C) | 76.1 |
| 9 (CH) | 57.5 |
| 10 (C) | 36.4 |
| 11 (CH2) | 15.8 |
| 12 (CH2) | 28.5 |
| 13 (C) | 76.4 |
| 14 (CH) | 143.8 |
| 15 (CH2) | 113.6 |
| 16 (CH2) | 69.7 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 15.5 |
