Spektraris NMR
Vibsanol B
Common Name: Vibsanol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-17(2)15-23(29)31-22-10-13-24(5,12-8-20(27)18(3)4)11-7-19(16-26)21(28)9-14-25(22,6)30/h7,9-10,13-15,20,22,26-27,30H,3,8,11-12,16H2,1-2,4-6H3/b13-10+,14-9+,19-7-/t20?,22-,24-,25-/m1/s1
InChIKey: InChIKey=NROSZFYAWYCTMA-XZHYIBAESA-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) | 44.7 |
| 2 (CH) | 129.1 |
| 3 (C) | 142.8 |
| 4 (C) | 202.4 |
| 5 (CH) | 128.5 |
| 6 (CH) | 154.6 |
| 7 (C) | 74.1 |
| 8 (CH) | 81.7 |
| 9 (CH) | 123.6 |
| 10 (CH) | 145.5 |
| 11 (C) | 40.3 |
| 12 (CH2) | 34.3 |
| 13 (CH2) | 30.3 |
| 14 (CH) | 76.1 |
| 15 (C) | 147.2 |
| 16 (CH2) | 111.3 |
| 17 (CH3) | 17.7 |
| 18 (CH2) | 64.9 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 22.4 |
| 1' (C) | 167.3 |
| 2' (CH) | 115.2 |
| 3' (C) | 159.5 |
| 4' (CH3) | 20.5 |
| 5' (CH3) | 27.6 |
