Spektraris NMR
Homobotcinolide
Common Name: Homobotcinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O8/c1-6-7-8-9-10-16(23)11-12-17(24)30-18-13(2)19(25)22(5,28)20(26)14(3)21(27)29-15(18)4/h11-16,18-20,23,25-26,28H,6-10H2,1-5H3/b12-11+/t13-,14+,15+,16?,18+,19+,20-,22-/m1/s1
InChIKey: InChIKey=IOPKEIRLUYIXEC-DYIJQUAQSA-N
Formula: C22H38O8
Molecular Weight: 430.533178
Exact Mass: 430.256668
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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 (C) | 180 |
| 2 (CH) | 39.3 |
| 3 (CH) | 77.7 |
| 4 (C) | 79.9 |
| 5 (CH) | 72.5 |
| 6 (CH) | 39.5 |
| 7 (CH) | 78.5 |
| 8 (CH) | 69.3 |
| 9 (C) | 167.7 |
| 10 (CH) | 120.2 |
| 11 (CH) | 153.5 |
| 12 (CH) | 71.6 |
| 13 (CH2) | 37.5 |
| 14 (CH2) | 32.9 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 26.4 |
| 17 (CH2) | 23.6 |
| 17 (CH3) | 14.4 |
| 18 (CH3) | 17.8 |
| 18 (CH3) | 15 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 18.2 |
