Spektraris NMR
12-hydroxy-hautriwaiclactone
Common Name: 12-hydroxy-hautriwaiclactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-6-8-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)10-16(21)14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=LNMXSSWHNWSLIC-WEDJFCISSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.A.S., Silveira, E.R., Marques, M.S.L., Santos, R.H.A., Gambardela, M.T.P. Phytochemistry (1996) 41, 217-23
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) | 20.5 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 136.5 |
| 4 (C) | 138.4 |
| 5 (C) | 45.7 |
| 6 (CH2) | 34.2 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.8 |
| 9 (C) | 39.2 |
| 10 (CH) | 48.7 |
| 11 (CH2) | 44.6 |
| 12 (CH) | 63.1 |
| 13 (C) | 131 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.5 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 17.6 |
| 18 (C) | 169.6 |
| 19 (CH2) | 71.9 |
| 20 (CH3) | 15.6 |
