Spektraris NMR
Methylrosmanol
Common Name: Methylrosmanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17-,18-,21-/m0/s1
InChIKey: InChIKey=XNPVHIQPSAZTLC-NTLWEQJWSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
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) | 28.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.9 |
| 4 (C) | 31.9 |
| 5 (CH) | 51.5 |
| 6 (CH) | 74.9 |
| 7 (CH) | 78.5 |
| 8 (C) | 128.2 |
| 9 (C) | 125 |
| 10 (C) | 47.7 |
| 11 (C) | 144.6 |
| 12 (C) | 142.7 |
| 13 (C) | 136.3 |
| 14 (CH) | 120.7 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 32 |
| 19 (CH3) | 22.6 |
| 20 (C) | 178.2 |
| 7a (CH3) | 58.3 |
