Spektraris NMR
Formosadimer A
Common Name: Formosadimer A
Synonyms: Formosadimer A
CAS Registry Number:
InChI: InChI=1S/C41H58O3/c1-24(2)27-20-26-14-15-34-38(5,6)16-12-18-40(34,9)30(26)22-33(27)44-36-35(42)29-21-28(25(3)4)32(43-11)23-31(29)41(10)19-13-17-39(7,8)37(36)41/h14-15,20-25,34-37,42H,12-13,16-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1
InChIKey: InChIKey=ZQIWLIFQYJYGHM-OKDLLEDBSA-N
Formula: C41H58O3
Molecular Weight: 598.89895
Exact Mass: 598.438596
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hsieh, C.L., Tseng, M.H., Kuo, Y.H. Chem Pharm Bull (2005) 53, 1463-5
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) | 39.1 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.9 |
| 4 (C) | 34 |
| 5 (CH) | 56 |
| 6 (CH) | 79.4 |
| 7 (CH) | 73.5 |
| 8 (C) | 128.9 |
| 9 (C) | 149.2 |
| 10 (C) | 38.5 |
| 11 (CH) | 105.1 |
| 12 (C) | 156.7 |
| 13 (C) | 133.8 |
| 14 (CH) | 127.7 |
| 15 (CH) | 26.1 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 34.9 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 25 |
| 1' (CH2) | 36 |
| 2' (CH2) | 18.8 |
| 3' (CH2) | 40.9 |
| 4' (C) | 32.6 |
| 5' (CH) | 51.1 |
| 6' (CH) | 126.7 |
| 7' (CH) | 127.4 |
| 8' (C) | 125.5 |
| 9' (C) | 147 |
| 10' (C) | 38.1 |
| 11' (CH) | 106.9 |
| 12' (C) | 153.5 |
| 13' (C) | 134.2 |
| 14' (CH) | 124.5 |
| 15' (CH) | 25.3 |
| 16' (CH3) | 22.9 |
| 17' (CH3) | 22.4 |
| 18' (CH3) | 32.1 |
| 19' (CH3) | 22 |
| 20' (CH3) | 19.7 |
| 12a (CH3) | 54.9 |
