Spektraris NMR
Vibsanin I
Common Name: Vibsanin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O7/c1-16(2)13-23(28)31-12-9-21-20(14-18(5)27)24(29)19(15-26)7-10-25(21,6)11-8-22(32-30)17(3)4/h7,9,12-13,20-22,26,30H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21-,22?,25+/m0/s1
InChIKey: InChIKey=UJJUMNMPDZRFHA-CKFZCNOUSA-N
Formula: C25H36O7
Molecular Weight: 448.550099
Exact Mass: 448.246104
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kubo, M., Chen, I.S., Fukuyama, Y. Chem Pharm Bull (2001) 49, 242-5
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) | 35.7 |
| 2 (CH) | 138.4 |
| 3 (C) | 160.3 |
| 4 (C) | 205.3 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 44.3 |
| 7 (C) | 206.4 |
| 8 (CH) | 137.6 |
| 9 (CH) | 113.9 |
| 10 (CH) | 48 |
| 11 (C) | 39.9 |
| 12 (CH2) | 34.5 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 87.8 |
| 15 (C) | 143.5 |
| 16 (CH2) | 113.2 |
| 17 (CH3) | 18.3 |
| 18 (CH2) | 64.2 |
| 19 (CH3) | 29.5 |
| 20 (CH3) | 29.5 |
| 8a (C) | 163.2 |
| 8b (CH) | 114.9 |
| 8c (C) | 160.3 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.3 |
