Spektraris NMR
Boletinin A
Common Name: Boletinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(8-5-9-18(2)12-15-21)10-6-13-20(4,23)14-7-11-19(3)16-22/h6,8,11-13,21-23H,5,7,9-10,14-16H2,1-4H3/b13-6+,17-8+,18-12+,19-11+
InChIKey: InChIKey=QVPAFHFVRMUTMO-AOMRLLSLSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Sato, K., Sen, K., Shibata, H., Hirota, M. J Nat Prod (2004) 67, 958-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 59.4 |
| 2 (CH) | 123.8 |
| 3 (C) | 139.2 |
| 4 (CH2) | 39.3 |
| 5 (CH2) | 26 |
| 6 (CH) | 124.8 |
| 7 (C) | 134.1 |
| 8 (CH2) | 42.4 |
| 9 (CH) | 126.1 |
| 10 (CH) | 138 |
| 11 (C) | 72.9 |
| 12 (CH2) | 42.3 |
| 13 (CH2) | 22.5 |
| 14 (CH) | 126.3 |
| 15 (C) | 135 |
| 16 (CH2) | 68.9 |
| 17 (CH3) | 13.7 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 16.2 |
