Spektraris NMR
Methylrosmanol diacetate
Common Name: Methylrosmanol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O7/c1-12(2)15-11-16-17(20(31-14(4)27)19(15)30-13(3)26)25-10-8-9-24(5,6)22(25)21(18(16)29-7)32-23(25)28/h11-12,18,21-22H,8-10H2,1-7H3/t18-,21-,22-,25-/m0/s1
InChIKey: InChIKey=WAEGSBQAQLUGKP-ZURQEGGNSA-N
Formula: C25H32O7
Molecular Weight: 444.518336
Exact Mass: 444.214803
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) | 19 |
| 3 (CH2) | 37.8 |
| 4 (C) | 31.4 |
| 5 (CH) | 50.6 |
| 6 (CH) | 74 |
| 7 (CH) | 77.4 |
| 8 (C) | 133.5 |
| 9 (C) | 130.8 |
| 10 (C) | 46.8 |
| 11 (C) | 140.2 |
| 12 (C) | 141 |
| 13 (C) | 142.3 |
| 14 (CH) | 126.8 |
| 15 (CH) | 27.7 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 22.1 |
| 20 (C) | 176.3 |
| 7a (CH3) | 58.3 |
| 11a (C) | 167.8 |
| 11b (CH3) | 20.2 |
| 12a (C) | 168 |
| 12b (CH3) | 20.7 |
