Spektraris NMR
6-epi-Demethylesquirolin D
Common Name: 6-epi-Demethylesquirolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-18,21-24H,5-7H2,1-4H3/t15-,16+,17-,18?,20-/m0/s1
InChIKey: InChIKey=BIRAIVMEZFVLJK-KWADOOBBSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Flores, M., Hernandezortega, S., Toscano, R.A., Ramamoorthy, T.P. Phytochemistry (1995) 39, 139-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 29.3 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 40.9 |
| 4 (C) | 33.5 |
| 5 (CH) | 56.3 |
| 6 (CH) | 68.9 |
| 7 (CH) | 73.7 |
| 8 (C) | 128.7 |
| 9 (C) | 122.1 |
| 10 (C) | 46.8 |
| 11 (C) | 143.2 |
| 12 (C) | 142.9 |
| 13 (C) | 133.9 |
| 14 (CH) | 115.7 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 22.9 |
| 20 (CH) | 91 |
