Spektraris NMR
Rosmanol
Common Name: Rosmanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16-,17-,20-/m0/s1
InChIKey: InChIKey=LCAZOMIGFDQMNC-VERUCKTNSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Diez, D., Cubilla, L. Phytochemistry (1998) 48, 1035-8
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) | 28.1 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 39.1 |
| 4 (C) | 31.9 |
| 5 (CH) | 51 |
| 6 (CH) | 78.8 |
| 7 (CH) | 69.1 |
| 8 (C) | 130.4 |
| 9 (C) | 124.9 |
| 10 (C) | 47.6 |
| 11 (C) | 144.7 |
| 12 (C) | 142.4 |
| 13 (C) | 136.5 |
| 14 (CH) | 120.2 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 31.8 |
| 19 (CH3) | 22.4 |
| 20 (C) | 178.3 |
