Spektraris NMR
Ainsliadimer A
Common Name: Ainsliadimer A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O7/c1-13-5-7-17-15(3)26(32)36-24(17)22-19(13)11-21(31)28(22)9-10-29(34)23-20(12-30(28,29)35)14(2)6-8-18-16(4)27(33)37-25(18)23/h17-20,22-25,34-35H,1-12H2/t17-,18-,19-,20-,22-,23-,24-,25-,28+,29-,30-/m0/s1
InChIKey: InChIKey=QYIHABZOQGFHJO-RLKQMHIPSA-N
Formula: C30H34O7
Molecular Weight: 506.587897
Exact Mass: 506.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, Z.J., Xu, X.K., Sheng, Y.H., Su, J., Tian, J.M., Liang, S., Li, H.L., Liu, R.H., Zhang, W.D. Org Lett (2008) 10, 2397-400
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 (CH) | 50.1 |
| 2 (CH2) | 46.9 |
| 3 (C) | 224.9 |
| 4 (C) | 62.2 |
| 5 (CH) | 38.9 |
| 6 (CH) | 84 |
| 7 (CH) | 43.7 |
| 8 (CH2) | 32.8 |
| 9 (CH2) | 38.9 |
| 10 (C) | 150 |
| 11 (C) | 138.6 |
| 12 (C) | 169 |
| 13 (CH2) | 122 |
| 14 (CH2) | 113.7 |
| 15 (CH2) | 26.3 |
| 1' (CH) | 41.8 |
| 2' (CH2) | 38.1 |
| 3' (C) | 90.5 |
| 4' (C) | 89.1 |
| 5' (CH) | 53.1 |
| 6' (CH) | 82.9 |
| 7' (CH) | 49 |
| 8' (CH2) | 31.3 |
| 9' (CH2) | 37.8 |
| 10' (C) | 147.5 |
| 11' (C) | 139.5 |
| 12' (C) | 170 |
| 13' (CH2) | 119.7 |
| 14' (CH2) | 113.8 |
| 15' (CH2) | 33.1 |
