Spektraris NMR
Vibsanol A
Common Name: Vibsanol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-18(2)16-22(28)31-21-10-14-24(5,12-7-11-23(3,4)29)13-8-19(17-26)20(27)9-15-25(21,6)30/h7-11,14-16,21,26,29-30H,12-13,17H2,1-6H3/b11-7+,14-10+,15-9+,19-8-/t21-,24+,25-/m1/s1
InChIKey: InChIKey=BFHUVBRMXMQPJH-KFKQBPMQSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Prakash, C.V., Wang, L.T., Chien, C.T., Hung, M.C. J Nat Prod (2002) 65, 1052-5
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) | 43.5 |
| 2 (CH) | 128.9 |
| 3 (C) | 142.9 |
| 4 (C) | 202.4 |
| 5 (CH) | 128.6 |
| 6 (CH) | 154.9 |
| 7 (C) | 74.1 |
| 8 (CH) | 81.5 |
| 9 (CH) | 123.2 |
| 10 (CH) | 145.2 |
| 11 (C) | 40.6 |
| 12 (CH2) | 40.9 |
| 13 (CH) | 122 |
| 14 (CH) | 141.7 |
| 15 (C) | 70.6 |
| 16 (CH3) | 29.6 |
| 17 (CH3) | 29.7 |
| 18 (CH2) | 64.8 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 22.6 |
| 1' (C) | 167.1 |
| 2' (CH) | 115.3 |
| 3' (C) | 159.5 |
| 4' (CH3) | 20.5 |
| 5' (CH3) | 27.6 |
