Spektraris NMR
dennstoside B
Common Name: dennstoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O12/c1-17-13-32(15-29(3,16-34)27(39)26(32)30(4,40)31(17)11-12-31)44-28-25(41-18(2)35)23(38)24(21(14-33)42-28)43-22(37)10-7-19-5-8-20(36)9-6-19/h5-10,13,21,23-26,28,33-34,36,38,40H,11-12,14-16H2,1-4H3/b10-7+/t21-,23+,24-,25-,26-,28+,29+,30-,32+/m1/s1
InChIKey: InChIKey=FYRZCBXMZJZXCJ-DFOLOQBOSA-N
Formula: C32H40O12
Molecular Weight: 616.654038
Exact Mass: 616.251977
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, M.M., Wang, K., Pan, Z.H., Chen, X.Q., Peng, L.Y., Li, Y., Cheng, X., Zhao, Q.S. Chem Pharm Bull (2009) 57, 1123-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudanes; 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 (C) | 221.4 |
| 2 (CH) | 65.1 |
| 3 (C) | 72.3 |
| 4 (CH2) | 7.6 |
| 5 (CH2) | 8.2 |
| 6 (C) | 30.8 |
| 7 (C) | 141.7 |
| 8 (CH) | 124.2 |
| 9 (C) | 83.3 |
| 10 (CH2) | 44.3 |
| 11 (C) | 53.3 |
| 12 (CH2) | 67.1 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 23.6 |
| 1' (CH) | 96.8 |
| 2' (CH) | 74.4 |
| 3' (CH) | 73.7 |
| 4' (CH) | 72.2 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 62.3 |
| 1'' (C) | 167 |
| 2'' (CH) | 114.8 |
| 3'' (CH) | 146.3 |
| 4'' (C) | 126.7 |
| 5'' (CH) | 131.1 |
| 6'' (CH) | 116.7 |
| 7'' (C) | 160.8 |
| 8'' (CH) | 116.7 |
| 9'' (CH) | 131.1 |
| 2'a (C) | 169.8 |
| 2'b (CH3) | 20.9 |
