Spektraris NMR
Caruifolin D
Common Name: Caruifolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17-,19-,20-,21-,22-,23-,24-,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=XDKZYFZYOVAAKJ-SPLXOMOJSA-N
Formula: C30H40O6
Molecular Weight: 496.636137
Exact Mass: 496.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, C., Nakamura, N., Hattori, M., Zhu, S., Komatsu, K. J Nat Prod (2000) 63, 1626-9
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) | 63 |
| 2 (CH) | 41.7 |
| 3 (CH2) | 34.9 |
| 4 (C) | 88.5 |
| 5 (C) | 62.2 |
| 6 (CH) | 82.7 |
| 7 (CH) | 49.4 |
| 8 (CH2) | 25.8 |
| 9 (CH2) | 39.4 |
| 10 (C) | 78 |
| 11 (CH) | 43 |
| 12 (C) | 178.8 |
| 13 (CH3) | 12.8 |
| 14 (CH3) | 27.3 |
| 15 (CH3) | 17.2 |
| 1' (CH) | 57.9 |
| 2' (CH) | 43.1 |
| 3' (CH) | 52.8 |
| 4' (C) | 132.8 |
| 5' (C) | 146.8 |
| 6' (CH) | 80.4 |
| 7' (CH) | 44.5 |
| 8' (CH2) | 22.6 |
| 9' (CH2) | 45.8 |
| 10' (C) | 75.6 |
| 11' (CH) | 40.3 |
| 12' (C) | 179.9 |
| 13' (CH3) | 9.5 |
| 14' (CH3) | 23 |
| 15' (CH3) | 16.6 |
