Spektraris NMR
3-Hydroxyvibsanin E
Common Name: 3-Hydroxyvibsanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-15(2)11-21(27)30-10-8-18-17(12-16(3)26)22(28)25(29)14-31-23(4,5)19-7-9-24(18,6)13-20(19)25/h8,10-11,17-20,29H,7,9,12-14H2,1-6H3/b10-8+/t17-,18-,19?,20-,24-,25-/m0/s1
InChIKey: InChIKey=VKHACZXOCHJKOR-NUGJHWQCSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Minami, H., Kagawa, M., Kodama, M., Kawazu, K. J Nat Prod (1999) 62, 337-9
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) | 36.6 |
| 2 (CH) | 37.1 |
| 3 (C) | 74.4 |
| 4 (C) | 213.8 |
| 5 (CH) | 43.1 |
| 6 (CH2) | 46.4 |
| 7 (C) | 210.8 |
| 8 (CH) | 135.2 |
| 9 (CH) | 115.8 |
| 10 (CH) | 45.7 |
| 11 (C) | 35.3 |
| 12 (CH2) | 42 |
| 13 (CH2) | 19.3 |
| 14 (CH) | 43.9 |
| 15 (C) | 72.7 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 27.8 |
| 18 (CH2) | 65.9 |
| 19 (CH3) | 28.9 |
| 20 (CH3) | 31.7 |
| 8a (C) | 163.2 |
| 8b (CH) | 115 |
| 8c (C) | 160 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.3 |
