Spektraris NMR
Neovibsanin D
Common Name: Neovibsanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O7/c1-18(2)15-22(27)30-14-10-20-24(5,12-8-11-23(3,4)33-28)13-9-19-17-31-21-16-25(6,29-7)32-26(19,20)21/h8-11,14-15,20-21,28H,12-13,16-17H2,1-7H3/b11-8+,14-10+/t20-,21+,24+,25-,26-/m1/s1
InChIKey: InChIKey=DIEFFKCJCDUOGU-LEOLPFTFSA-N
Formula: C26H38O7
Molecular Weight: 462.576716
Exact Mass: 462.261754
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) | 33.4 |
| 2 (CH) | 120.4 |
| 3 (C) | 137.8 |
| 4 (C) | 91.6 |
| 5 (CH) | 87.5 |
| 6 (CH2) | 45.1 |
| 7 (C) | 110.9 |
| 8 (CH) | 137.5 |
| 9 (CH) | 112.6 |
| 10 (CH) | 48.2 |
| 11 (C) | 35.7 |
| 12 (CH2) | 42.2 |
| 13 (CH) | 128.5 |
| 14 (CH) | 137.3 |
| 15 (C) | 81.7 |
| 16 (CH3) | 24.8 |
| 17 (CH3) | 24.8 |
| 18 (CH2) | 70 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 26.1 |
| 7a (CH3) | 50 |
| 8a (C) | 163.2 |
| 8b (CH) | 115.1 |
| 8c (C) | 159.6 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.2 |
