Spektraris NMR
Obtusifoliol
Common Name: Obtusifoliol
Synonyms: Obtusifoliol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChIKey: InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 35.09 |
| 2 (CH2) | 31.26 |
| 3 (CH) | 76.61 |
| 4 (CH) | 39.32 |
| 5 (CH) | 47.19 |
| 6 (CH2) | 20.81 |
| 7 (CH2) | 28.24 |
| 8 (C) | 133.73 |
| 9 (C) | 134.77 |
| 10 (C) | 36.43 |
| 11 (CH2) | 21.85 |
| 12 (CH2) | 25.64 |
| 13 (C) | 44.65 |
| 14 (C) | 49.96 |
| 15 (CH2) | 31.39 |
| 16 (CH2) | 31.19 |
| 17 (CH) | 50.52 |
| 18 (CH3) | 15.81 |
| 19 (CH3) | 18.79 |
| 20 (CH) | 36.55 |
| 21 (CH3) | 18.26 |
| 22 (CH2) | 35.14 |
| 23 (CH2) | 30.87 |
| 24 (C) | 156.94 |
| 25 (CH) | 33.91 |
| 26 (CH3) | 21.92 |
| 27 (CH3) | 22.05 |
| 28 (CH3) | 15.11 |
| 30 (CH3) | 24.3 |
| 24a (CH2) | 106.03 |
