Spektraris NMR
Rosmanol triacetate
Common Name: Rosmanol triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O8/c1-12(2)16-11-17-18(21(33-15(5)29)19(16)31-13(3)27)26-10-8-9-25(6,7)23(26)22(34-24(26)30)20(17)32-14(4)28/h11-12,20,22-23H,8-10H2,1-7H3/t20-,22-,23-,26-/m0/s1
InChIKey: InChIKey=CEEMRWKKNNEQDT-SZBRSHHCSA-N
Formula: C26H32O8
Molecular Weight: 472.528477
Exact Mass: 472.209718
NMR Solvent: CDCl3
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) | 26.6 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 37.7 |
| 4 (C) | 31.5 |
| 5 (CH) | 51.1 |
| 6 (CH) | 74.3 |
| 7 (CH) | 69.2 |
| 8 (C) | 126.9 |
| 9 (C) | 121.1 |
| 10 (C) | 46.9 |
| 11 (C) | 131.4 |
| 12 (C) | 131.4 |
| 13 (C) | 142.9 |
| 14 (CH) | 126.9 |
| 15 (CH) | 27.7 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 31.3 |
| 19 (CH3) | 21.8 |
| 20 (C) | 175.7 |
| 7a (C) | 170.1 |
| 7b (CH3) | 20.2 |
| 11a (C) | 167.8 |
| 11b (CH3) | 20.7 |
| 12a (C) | 167 |
| 12b (CH3) | 20.7 |
