Spektraris NMR
Sugikurojin J
Common Name: Sugikurojin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O5/c1-10-37(6)18-13-28-27(23-37)31(42)21-34-38(28,7)16-12-17-40(34,9)35(43)45-44-32-22-33-36(4,5)14-11-15-39(33,8)29-20-30(41)25(24(2)3)19-26(29)32/h10,19-20,23-24,28,32-34,41H,1,11-18,21-22H2,2-9H3/t28?,32-,33+,34-,37+,38-,39-,40-/m1/s1
InChIKey: InChIKey=DWLHCWUIQVURCE-ZXOYOSNUSA-N
Formula: C40H56O5
Molecular Weight: 616.871143
Exact Mass: 616.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Suzuki, K., Umeyama, A., Arihara, S. Chem Pharm Bull (2006) 54, 574-8
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) | 40.8 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.5 |
| 5 (CH) | 43.4 |
| 6 (CH2) | 32.9 |
| 7 (CH) | 94.1 |
| 8 (C) | 146 |
| 9 (C) | 141.8 |
| 10 (C) | 40.6 |
| 11 (CH) | 113.6 |
| 12 (C) | 148.8 |
| 13 (C) | 132.4 |
| 14 (CH) | 121.4 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 21.4 |
| 1' (CH2) | 37.8 |
| 2' (CH2) | 17.7 |
| 3' (CH2) | 36.8 |
| 4' (C) | 46.1 |
| 5' (CH) | 43.8 |
| 6' (CH2) | 38.6 |
| 7' (C) | 199 |
| 8' (C) | 135 |
| 9' (CH) | 51.2 |
| 10' (C) | 35.4 |
| 11' (CH2) | 18.9 |
| 12' (CH2) | 34.1 |
| 13' (C) | 38.7 |
| 14' (CH) | 144.5 |
| 15' (CH) | 146.5 |
| 16' (CH2) | 111.7 |
| 17' (CH3) | 25.9 |
| 18' (CH3) | 16.3 |
| 19' (C) | 175.3 |
| 20' (CH3) | 14.2 |
