Spektraris NMR
2-O-Methylneovibsanin I
Common Name: 2-O-Methylneovibsanin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O5/c1-17(2)9-8-11-26(6)15-23(29-7)20-16-31-22(14-19(5)27)25(20)21(26)10-12-30-24(28)13-18(3)4/h9-10,12-13,21-23H,8,11,14-16H2,1-7H3/b12-10+/t21-,22-,23+,26-/m0/s1
InChIKey: InChIKey=OKVYNVXFESMJAD-RAJJPZKFSA-N
Formula: C26H38O5
Molecular Weight: 430.577907
Exact Mass: 430.271924
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Kubo, M., Minami, H., Yuasa, H., Matsuo, A., Fujii, T., Morisaki, M., Harada, K. Chem Pharm Bull (2005) 53, 72-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vibsanes; 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) | 38.1 |
| 2 (CH) | 72.9 |
| 3 (C) | 137.2 |
| 4 (C) | 175.4 |
| 5 (CH) | 83.7 |
| 6 (CH2) | 47.9 |
| 7 (C) | 205 |
| 8 (CH) | 138.6 |
| 9 (CH) | 111.3 |
| 10 (CH) | 41.9 |
| 11 (C) | 38.1 |
| 12 (CH2) | 40.8 |
| 13 (CH2) | 22.8 |
| 14 (CH) | 125.5 |
| 15 (C) | 131 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.8 |
| 18 (CH2) | 74.8 |
| 19 (CH3) | 30.7 |
| 20 (CH3) | 21.1 |
| 2a (CH3) | 56.1 |
| 8a (C) | 163.1 |
| 8b (CH) | 115.1 |
| 8c (C) | 160 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.2 |
