Spektraris NMR
SpirovibsaninA
Common Name: SpirovibsaninA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O6/c1-15(2)12-20(26)30-11-9-19-24(6)10-8-18(23(4,5)29-7)17(14-24)21(27)25(19)13-16(3)31-22(25)28/h9,11-13,17-19H,8,10,14H2,1-7H3/b11-9+/t17-,18-,19+,24-,25+/m0/s1
InChIKey: InChIKey=IYGMLBRNOYTRCU-GEZFFOSXSA-N
Formula: C25H34O6
Molecular Weight: 430.534813
Exact Mass: 430.235539
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kubo, M., Fujii, T., Hioki, H., Tanaka, M., Kawazub, K., Fukuyamaa, Y. Tetrahedron Lett (2001) 42, 1081-3
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) | 28.2 |
| 2 (CH) | 43.5 |
| 3 (C) | 210.3 |
| 4 (C) | 68.1 |
| 5 (C) | 172.9 |
| 6 (CH) | 107.7 |
| 7 (C) | 152.6 |
| 8 (CH) | 137.7 |
| 9 (CH) | 110.4 |
| 10 (CH) | 54.3 |
| 11 (C) | 33.2 |
| 12 (CH2) | 38.2 |
| 13 (CH2) | 19.6 |
| 14 (CH) | 50.4 |
| 15 (C) | 76.8 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 22.5 |
| 19 (CH3) | 13.2 |
| 20 (CH3) | 26.2 |
| 8a (C) | 163.1 |
| 8b (CH) | 115.1 |
| 8c (C) | 159.8 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.2 |
| 15a (CH3) | 48.8 |
