Spektraris NMR
Formosaminol
Common Name: Formosaminol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33+,34+,35?,36?,39-,40-/m1/s1
InChIKey: InChIKey=JZYNFCPCWFSNOL-VFWFSKMBSA-N
Formula: C40H56O4
Molecular Weight: 600.871738
Exact Mass: 600.41786
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arihara, S., Umeyama, A., Bando, S., Imoto, S., Ono, M., Tani, M., Yoshikawa, K. Chem Pharm Bull (2004) 52, 354-8
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) | 38.6 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 43.2 |
| 4 (C) | 33.9 |
| 5 (CH) | 51.8 |
| 6 (CH) | 73.1 |
| 7 (CH) | 71.8 |
| 8 (C) | 126.6 |
| 9 (C) | 147.2 |
| 10 (C) | 36.7 |
| 11 (CH) | 108.8 |
| 12 (C) | 151.8 |
| 13 (C) | 131.2 |
| 14 (CH) | 124.8 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 35.7 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 22.9 |
| 1' (CH2) | 38.6 |
| 2' (CH2) | 18.9 |
| 3' (CH2) | 43.2 |
| 4' (C) | 33.9 |
| 5' (CH) | 51.8 |
| 6' (CH) | 73.1 |
| 7' (CH) | 71.8 |
| 8' (C) | 126.6 |
| 9' (C) | 147.2 |
| 10' (C) | 36.7 |
| 11' (CH) | 108.8 |
| 12' (C) | 151.8 |
| 13' (C) | 131.2 |
| 14' (CH) | 124.8 |
| 15' (CH) | 26.9 |
| 16' (CH3) | 22.3 |
| 17' (CH3) | 22.6 |
| 18' (CH3) | 35.7 |
| 19' (CH3) | 22.9 |
| 20' (CH3) | 22.9 |
