Spektraris NMR
(5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-12,15-diol
Common Name: (5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-12,15-diol
Synonyms: (5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-12,15-diol
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-14(10-12-21)17(22)13-20(5)16(3)9-11-19(4)15(2)7-6-8-18(19)20/h7,10,16-18,21-22H,6,8-9,11-13H2,1-5H3/b14-10+/t16-,17?,18+,19+,20+/m1/s1
InChIKey: InChIKey=MNRGUPHQEVIYLM-OUZMFDFTSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rojatkar, S.R., Nagasampagi, B.A. Phytochemistry (1194) 37, 505-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.7 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 120.1 |
| 4 (C) | 143.1 |
| 5 (C) | 38.3 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 21.6 |
| 8 (CH) | 37.4 |
| 9 (C) | 39.3 |
| 10 (CH) | 46.7 |
| 11 (CH2) | 43.2 |
| 12 (CH) | 73.1 |
| 13 (C) | 144.7 |
| 14 (CH) | 123.3 |
| 15 (CH2) | 59 |
| 16 (CH3) | 11.8 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18.2 |
