Spektraris NMR
3a,4a-Epoxysphenoloba-13(14),16Edien-15,18-diol
Common Name: 3a,4a-Epoxysphenoloba-13(14),16Edien-15,18-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(16(21)8-9-18(2,3)22)14-6-10-19(4)12-17-20(5,23-17)11-7-15(14)19/h8-9,14-17,21-22H,1,6-7,10-12H2,2-5H3/b9-8+/t14?,15-,16?,17-,19+,20+/m0/s1
InChIKey: InChIKey=ZWHMNPKOSMHLTD-SQLMOZLVSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, M.S., Connolly, J.D., Rycroft, D.S. Phytochemistry (1996) 43, 1297-301
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sphenolobanes; 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) | 23 |
| 2 (CH2) | 36 |
| 3 (C) | 60.3 |
| 4 (CH) | 61 |
| 5 (CH2) | 41.3 |
| 6 (C) | 43.9 |
| 7 (CH2) | 39.5 |
| 8 (CH2) | 29.2 |
| 9 (CH) | 45.9 |
| 10 (CH) | 58.5 |
| 11 (CH3) | 23.4 |
| 12 (CH3) | 17.8 |
| 13 (C) | 149.8 |
| 14 (CH2) | 112.1 |
| 15 (CH) | 87.8 |
| 16 (CH) | 143.3 |
| 17 (CH) | 123.7 |
| 18 (C) | 70.7 |
| 19 (CH3) | 29.7 |
| 20 (CH3) | 29.7 |
