Spektraris NMR
Ainsliadimer B
Common Name: Ainsliadimer B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O8/c1-12-4-5-15-13(2)28(35)38-26(15)21-17(12)10-19(32)30(21)9-8-29(36)7-6-16-14(3)27(34)37-25(16)20-18(11-31)24(33)23(30)22(20)29/h15-18,20-21,25-26,31,36H,1-11H2/t15-,16-,17-,18-,20-,21-,25-,26-,29+,30+/m0/s1
InChIKey: InChIKey=RHYDACDYAGGAEH-BIIRDFIDSA-N
Formula: C30H32O8
Molecular Weight: 520.57142
Exact Mass: 520.209718
NMR Solvent: M
MHz:
Calibration:
NMR references: 13C - Wang, Y., Shen, Y.H., Jin, H.Z., Fu, J.J., Hu, X.J., Qin, J.J., Liu, J.H., Chen, M., Yan, S.K., Zhang, W.D. Org Lett (2008) 10, 5517-20
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 173.6 |
| 2 (C) | 140.7 |
| 3 (C) | 207.3 |
| 4 (CH) | 53.6 |
| 5 (CH) | 49 |
| 6 (CH) | 82.3 |
| 7 (CH) | 51.6 |
| 8 (CH2) | 21 |
| 9 (CH2) | 36 |
| 10 (C) | 68.3 |
| 11 (C) | 139.3 |
| 12 (C) | 169.7 |
| 13 (CH2) | 119.3 |
| 14 (CH2) | 36.2 |
| 15 (CH2) | 60.6 |
| 1' (CH) | 40 |
| 2' (CH2) | 44.7 |
| 3' (C) | 222 |
| 4' (C) | 51 |
| 5' (CH) | 49.6 |
| 6' (CH) | 83.8 |
| 7' (CH) | 43.5 |
| 8' (CH2) | 32 |
| 9' (CH2) | 39.5 |
| 10' (C) | 150.1 |
| 11' (C) | 138.5 |
| 12' (C) | 169.3 |
| 13' (CH2) | 121.7 |
| 14' (CH2) | 114.2 |
| 15' (CH2) | 25.8 |
